Basic information
- CAS
78612-86-9- Standard SMILES
CCC1C(OC)=CC(CC)(CO)C=C1OC- InChIKey
FVTJLYYYCMGIHA-UHFFFAOYSA-N- Molecular formula
- C13H22O3
- Average molar mass
- 226.31 g/mol
- Monoisotopic mass
- 226.15689456
Names & identifiers
- Preferred name
- (1,4-Diethyl-3,5-dimethoxycyclohexa-2,5-dien-1-yl)methanol
- IUPAC
- (1,4-diethyl-3,5-dimethoxycyclohexa-2,5-dien-1-yl)methanol
Names & synonyms
78612-86-9(1,4-diethyl-3,5-dimethoxycyclohexa-2,5-dien-1-yl)methanolNSC353678DTXSID10320004NSC-353678
Database identifiers
- CAS
78612-86-9- PubChem CID
- 337058
- DTXSID
DTXSID10320004
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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