Basic information
- CAS
4485-16-9- Standard SMILES
CCC=C(C)CCC- InChIKey
KKVVJQGDNYIIMN-UHFFFAOYSA-N- Molecular formula
- C8H16
- Average molar mass
- 112.21 g/mol
- Monoisotopic mass
- 112.12520051
Names & identifiers
- Preferred name
- 4-Methylhept-3-ene
- IUPAC
- 4-methylhept-3-ene
- English name
- 4-Methyl heptene-3
- Molecular formula
- C8H16
- Molecular weight
- 112.21
Names & synonyms
4-methylhept-3-ene4-METHYL HEPTENE-3SCHEMBL57059SCHEMBL2120710SCHEMBL2122699SCHEMBL7872917SCHEMBL7875872SCHEMBL7875876SCHEMBL8071814SCHEMBL9381006DTXSID708710824-METHYL-3-HEPTENE
Show more names
3-Heptene, 4-methyl-(3E)-4-Methyl-3-heptenecis/trans-3-heptene,4-methyl-
Database identifiers
- CAS
4485-16-9- PubChem CID
- 138271
- DTXSID
DTXSID70871082
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.1
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -103.01 °C · -103.01°C (estimate)
- Boiling point
- 120.2 °C · 120.2°C (estimate)
- Density
- 0.721 · 0.7210
- refractive index
- 1.417 · 1.4170
- LogP
- 4.283 · 4.283 (est)
Chemistry & industry
Suppliers2 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
BOC Sciences[email protected]
Additional notes
DefinitionChEBI: 4-Methyl-3-heptene is an acyclic olefin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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