Basic information
- CAS
4057-42-5- Standard SMILES
CCC(C)CCC=C(C)C- InChIKey
WQNLWKDARWVSKE-UHFFFAOYSA-N- Molecular formula
- C10H20
- Average molar mass
- 140.27 g/mol
- Monoisotopic mass
- 140.15650064
Names & identifiers
- Preferred name
- 2,6-Dimethyl-2-octene
- IUPAC
- 2,6-dimethyloct-2-ene
- English name
- 2,6-Dimethyl-2-octene
- Molecular formula
- C10H20
- Molecular weight
- 140.27
Names & synonyms
2,6-Dimethyl-2-octene2-OCTENE, 2,6-DIMETHYL-2,6-Dimethyl-oct-2-eneNSC 91458BRN 17195693-01-00-00861 (Beilstein Handbook Reference)RefChem:83283WQNLWKDARWVSKE-UHFFFAOYSA-N2,6-dimethyloct-2-ene4057-42-52-Octene,6-dimethyl-NCIOpen2_001334
Show more names
SCHEMBL133661SCHEMBL1198833SCHEMBL4233092SCHEMBL8564527SCHEMBL16106054SCHEMBL16106055SCHEMBL21647289DTXSID80871053
Database identifiers
- CAS
4057-42-5- PubChem CID
- 19974
- DTXSID
DTXSID80871053- Nikkaji
- J42.526E
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 96.6
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
Physicochemical properties
- Melting point
- -56.93 °C · -56.93°C (estimate)
- Boiling point
- 166.82 °C · 166.82°C (estimate)
- Density
- 0.746 · 0.7460
- refractive index
- 1.425 · 1.4250
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers2 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
1 records
Compound notes
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