Basic information
- CAS
5896-02-6- Standard SMILES
C=CC=CC1C(C)=CC(=O)CC1(C)C- InChIKey
YKVWPZJHENXDAJ-UHFFFAOYSA-N- Molecular formula
- C13H18O
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.13576519
Names & identifiers
- Preferred name
- 4-(1,3-Butadienyl)-3,5,5-trimethyl-2-cyclohexen-1-one
- IUPAC
- 4-buta-1,3-dienyl-3,5,5-trimethylcyclohex-2-en-1-one
Names & synonyms
YKVWPZJHENXDAJ-UHFFFAOYSA-NDTXSID401021635NS000461194-(1,3-butadienyl)-3,5,5-trimethyl-2-cyclohexen-1-one4-(1,3-Butadien-1-yl)-3,5,5-trimethyl-2-cyclohexen-1-one
Database identifiers
- CAS
5896-02-6- PubChem CID
- 110730
- DTXSID
DTXSID401021635
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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