1,2-Cyclododecanediol - ≥95%, cis- and trans- mixture , CAS No.15199-41-4

CAS: 15199-41-4 Cat. No.: C153238 Summenformel: C₁₂H₂₄O₂ Molekulargewicht: 200.32 Beilstein Registry Number: 6(4)5265

GRADE & PURITY ≥95%, cis- and trans- mixture

Synonyms

EINECS 239-256-5 | DTXSID00934391 | HAMFVYJFVXTJCJ-UHFFFAOYSA- | InChI=1/C12H24O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11-14H,1-10H2 | SCHEMBL560334 | MFCD01321150 | T70323 | AKOS024332884 | 1,2-Cyclododecanediol(cis+ trans) | 1,2-Cyclododecanediol | Cyc

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

EINECS 239-256-5 | DTXSID00934391 | HAMFVYJFVXTJCJ-UHFFFAOYSA- | InChI=1/C12H24O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11-14H,1-10H2 | SCHEMBL560334 | MFCD01321150 | T70323 | AKOS024332884 | 1,2-Cyclododecanediol(cis+ trans) | 1,2-Cyclododecanediol | Cyc

Spezifikationen & Reinheit

≥95%, cis- and trans- mixture

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504755830

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755830

Kanonisches Lächeln

C1CCCCCC(C(CCCC1)O)O

IUPAC Name

cyclododecane-1,2-diol

InChIKey

HAMFVYJFVXTJCJ-UHFFFAOYSA-N

INCHI

1S/C12H24O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11-14H,1-10H2

Isomere SMILES

C1CCCCCC(C(CCCC1)O)O

Molekulargewicht

200.32

Beilstein

6(4)5265

Reaxy-Rn

2324042

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2324042&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols
        • Ebene5 Polyols
          • Ebene6 1,2-diols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Polyols
• Direct Parent: 1,2-diols
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Secondary alcohol - 1,2-diol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 200.320 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 200.178 Da
• Monoisotopic Mass: 200.178 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 120.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1