Basic information
- Standard SMILES
CCCCSC=C1CC[C@H](OC2CCCCO2)C(C)(C)C1O- InChIKey
IOWXZFJQEHPSRR-GTPINHCMSA-N- Molecular formula
- C18H32O3S
- Average molar mass
- 328.5 g/mol
Names & identifiers
- Preferred name
- (3S)-6-butylthiomethylene-2,2-dimethyl-3-tetrahydropyranyloxycyclohexan-1-ol
- IUPAC
- (3S)-6-(butylsulfanylmethylidene)-2,2-dimethyl-3-(oxan-2-yloxy)cyclohexan-1-ol
Names & synonyms
SCHEMBL10739577IOWXZFJQEHPSRR-GTPINHCMSA-N(3S)-6-butylthiomethylene-2,2-dimethyl-3-tetrahydropyranyloxycyclohexan-1-ol
Database identifiers
- PubChem CID
- 57136994
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 367
Related reactions
1 records
Compound notes
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