4,4,5-Trimethylhex-5-en-3-one
Basic information
- CAS
6948-98-7- Standard SMILES
C=C(C)C(C)(C)C(=O)CC- InChIKey
VBZRWZVYUDHMDL-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Names & identifiers
- Preferred name
- 4,4,5-Trimethylhex-5-en-3-one
- IUPAC
- 4,4,5-trimethylhex-5-en-3-one
- English name
- 4,4,5-trimethylhex-5-en-3-one
- Molecular formula
- C9H16O
- Molecular weight
- 0
Names & synonyms
6948-98-74,4,5-trimethylhex-5-en-3-oneNSC20698SCHEMBL20917016DTXSID60281191NSC-20698
Database identifiers
- CAS
6948-98-7- PubChem CID
- 228089
- DTXSID
DTXSID60281191- EC Number
- 188-916-8
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 154
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Compound notes
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