(E)-3-Heptene, 3,4-dimethyl-
Basic information
- CAS
3074-67-7- Standard SMILES
CCC/C(C)=C(\C)CC- InChIKey
LVGIMZUCTYUIGT-CMDGGOBGSA-N- Molecular formula
- C9H18
- Average molar mass
- 126.24 g/mol
- Monoisotopic mass
- 126.14085057
Names & identifiers
- Preferred name
- (E)-3-Heptene, 3,4-dimethyl-
- IUPAC
- (E)-3,4-dimethylhept-3-ene
Names & synonyms
(E)-3-Heptene, 3,4-dimethyl-3074-67-7RefChem:1050905(E)-C3H7C(CH3)=C(CH3)C2H5SCHEMBL17274654LVGIMZUCTYUIGT-CMDGGOBGSA-N
Database identifiers
- CAS
3074-67-7- PubChem CID
- 3036313
- Nikkaji
- J1.496.133J、J498.739J
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 98.6
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Compound notes
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