Basic information
- CAS
31738-46-2- Standard SMILES
CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C(S)OCCC12- InChIKey
GIPMKFQKAKKXCS-UHFFFAOYSA-N- Molecular formula
- C23H34O3S
- Average molar mass
- 390.6 g/mol
- Monoisotopic mass
- 390.22286612
Names & identifiers
- Preferred name
- 2H,4H-Thiopyrano(3,4-c)(1)benzopyran-10-ol, 1,5-dihydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-
- IUPAC
- 5,5-dimethyl-8-(3-methyloctan-2-yl)-4-sulfanyl-2,10b-dihydro-1H-pyrano[3,4-c]chromen-10-ol
Names & synonyms
BRN 132644331738-46-21,5-Dihydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-2H,4H-thiopyrano(3,4-c)(1)benzopyran-10-ol2H,4H-Thiopyrano(3,4-c)(1)benzopyran-10-ol, 1,5-dihydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-RefChem:267528DTXSID909536775,5-Dimethyl-8-(3-methyloctan-2-yl)-4-sulfanyl-1,10b-dihydro-2H,5H-pyrano[3,4-c][1]benzopyran-10-ol
Database identifiers
- CAS
31738-46-2- PubChem CID
- 208166
- DTXSID
DTXSID90953677
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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