1-(propan-2-yl)cyclopentan-1-ol - ≥97% , CAS No.1462-05-1

CAS: 1462-05-1 Cat. No.: C629343 Molecular Weight: 128.22 PubChem CID: 244003

GRADE & PURITY ≥97%

Synonyms

1-isopropyl-cyclopentan-1-ol | PVHCTQIRJHNLMY-UHFFFAOYSA-N | 1-(propan-2-yl)cyclopentanol | AKOS009995940 | Cyclopentanol,1-(1-methylethyl)- | DTXSID70288136 | D93310 | 1-(propan-2-yl)cyclopentan-1-ol | 1-propan-2-ylcyclopentan-1-ol | Z449370848 | 1-isopr

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

1-isopropyl-cyclopentan-1-ol | PVHCTQIRJHNLMY-UHFFFAOYSA-N | 1-(propan-2-yl)cyclopentanol | AKOS009995940 | Cyclopentanol, 1-(1-methylethyl)- | DTXSID70288136 | D93310 | 1-(propan-2-yl)cyclopentan-1-ol | 1-propan-2-ylcyclopentan-1-ol | Z449370848 | 1-isopr

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)C1(CCCC1)O
• IUPAC Name: 1-propan-2-ylcyclopentan-1-ol
• InChIKey: PVHCTQIRJHNLMY-UHFFFAOYSA-N
• INCHI: 1S/C8H16O/c1-7(2)8(9)5-3-4-6-8/h7,9H,3-6H2,1-2H3
• Isomeric SMILES: CC(C)C1(CCCC1)O
• Alternate CAS: 1462-05-1
• PubChem CID: 244003
• NSC Number: 54359
• Molecular Weight: 128.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclopentanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclopentanols
• Alternative Parents: Tertiary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclopentanol - Tertiary alcohol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclopentanols. These are compounds containing a cyclopentane ring that carries an alcohol group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 128.210 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 128.12 Da
• Monoisotopic Mass: 128.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 90.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Huiyan Jia, Wenxuan Yuan, Zhengyu Ren, Jingming Ning, Yong-Quan Xu, Yujie Wang, Wei-Wei Deng.  (2022)  Cost-effective and sensitive indicator-displacement array (IDA) assay for quality monitoring of black tea fermentation.  FOOD CHEMISTRY,      [PMID:36166928] [10.1016/j.foodchem.2022.134340]

2. Xiaoting Dong, Pengli Xue, Xian Ma, Yifan Bai, Penghui Shi, Liujiao Bian.  (2021)  Recognition and binding of FEZ-1 from Legionella with penicillin V and cefoxitin by fluorescence spectra in combination with molecular dynamics simulation.  ENZYME AND MICROBIAL TECHNOLOGY,      [PMID:34311875] [10.1016/j.enzmictec.2021.109819]