3,5-Dimethyloctane - ≥96% , CAS No.15869-93-9

CAS: 15869-93-9 Cat. No.: D155216 분자식: C₁₀H₂₂ 분자량: 142.29 EC 번호: 679-705-6

GRADE & PURITY ≥96%

Synonyms

Q5651907 | InChI=1/C10H22/c1-5-7-10(4)8-9(3)6-2/h9-10H,5-8H2,1-4H | VRHRGVJOUHJULC-UHFFFAOYSA-N | DTXSID90871246 | 3,5-Dimethyloctane | 3,5-dimethyl-octane | D1214 | BS-21600 | FT-0692015 | 3,5-Dimethyl octane | MFCD00048739 | CHEBI:84237 | Octane, 3,5-di

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

Q5651907 | InChI=1/C10H22/c1-5-7-10(4)8-9(3)6-2/h9-10H,5-8H2,1-4H | VRHRGVJOUHJULC-UHFFFAOYSA-N | DTXSID90871246 | 3,5-Dimethyloctane | 3,5-dimethyl-octane | D1214 | BS-21600 | FT-0692015 | 3,5-Dimethyl octane | MFCD00048739 | CHEBI:84237 | Octane, 3,5-di

사양 및 순도

≥96%

보관 조건

Room temperature

배송

Normal

순수함

≥96%

이름과 식별자

• Pubchem Sid: 504757191
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757191
• 정식 스마일: CCCC(C)CC(C)CC
• IUPAC Name: 3,5-dimethyloctane
• InChIKey: VRHRGVJOUHJULC-UHFFFAOYSA-N
• INCHI: 1S/C10H22/c1-5-7-10(4)8-9(3)6-2/h9-10H,5-8H2,1-4H3
• 이성체 SMILES: CCCC(C)CC(C)CC
• 분자량: 142.29
• Reaxy-Rn: 1696983
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696983&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 분류 Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
• External Descriptors: alkane

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

화학 및 물리적 특성

• 굴절률: 1.41
• 발화점(°F): 38°C(lit.)
• 발화점(°C): 38°C(lit.)
• 끓는점(°C): 160°C
• 분자량: 142.280 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 142.172 Da
• Monoisotopic Mass: 142.172 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 66.400
• 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