Basic information
- CAS
55780-93-3- Standard SMILES
C=CC(C)(O)CC1CC(C)=CCC1=C(C)C- InChIKey
LCXFGBNEANUFOH-UHFFFAOYSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Names & identifiers
- Preferred name
- alpha-Ethenyl-alpha,3-dimethyl-6-(1-methylethylidene)-3-cyclohexene-1-ethanol
- IUPAC
- 2-methyl-1-(3-methyl-6-propan-2-ylidenecyclohex-3-en-1-yl)but-3-en-2-ol
- English name
- α-Ethenyl-α,3-dimethyl-6-(1-methylethylidene)-3-cyclohexene-1-ethanol
- Molecular formula
- C15H24O
- Molecular weight
- 220.35
Names & synonyms
alpha-Ethenyl-alpha,3-dimethyl-6-(1-methylethylidene)-3-cyclohexene-1-ethanol55780-93-3RefChem:318380LCXFGBNEANUFOH-UHFFFAOYSA-NDTXSID1011560952-methyl-1-[3-methyl-6-(propan-2-ylidene)cyclohex-3-en-1-yl]but-3-en-2-ol2-Methyl-1-[3-methyl-6-(1-methylethylidene)-3-cyclohexen-1-yl]-3-buten-2-ol #3-Cyclohexene-1-ethanol, .alpha.-ethenyl-.alpha.,3-dimethyl-6-(1-methylethylidene)-I+/--Ethenyl-I+/-,3-dimethyl-6-(1-methylethylidene)-3-cyclohexene-1-ethanolα-Ethenyl-α,3-dimethyl-6-(1-methylethylidene)-3-cyclohexene-1-ethanol3-Cyclohexene-1-ethanol, α-ethenyl-α,3-dimethyl-6-(1-methylethylidene)-
Database identifiers
- CAS
55780-93-3- PubChem CID
- 577146
- DTXSID
DTXSID101156095- Nikkaji
- J129.874G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Boiling point
- 312 · 312.0±11.0 °C(Predicted)
- Density
- 0.92 · 0.920±0.06 g/cm3(Predicted)
- pka
- 14.37 · 14.37±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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