6-(3-Ethoxy-1-buten-1-yl)-1,5,5-trimethylcyclohexene
Basic information
- CAS
70172-07-5- Standard SMILES
CCOC(C)C=CC1C(C)=CCCC1(C)C- InChIKey
OBPLZLQGJGRDSL-UHFFFAOYSA-N- Molecular formula
- C15H26O
- Average molar mass
- 222.37 g/mol
- Monoisotopic mass
- 222.19836545
Names & identifiers
- Preferred name
- 6-(3-Ethoxy-1-buten-1-yl)-1,5,5-trimethylcyclohexene
- IUPAC
- 6-(3-ethoxybut-1-enyl)-1,5,5-trimethylcyclohexene
Names & synonyms
SCHEMBL9464731OBPLZLQGJGRDSL-UHFFFAOYSA-NDTXSID201217515NS000619596-(3-Ethoxy-1-buten-1-yl)-1,5,5-trimethylcyclohexene6-(3-ethoxybut-1-en-1-yl)-1,5,5-trimethylcyclohex-1-ene
Database identifiers
- CAS
70172-07-5- PubChem CID
- 3017992
- DTXSID
DTXSID201217515
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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