Basic information
- CAS
60796-29-4- Standard SMILES
CCCCCc1cc2c(cc1O)OC(C)(C)C=C2- InChIKey
UZIAMXCIWKUFIC-UHFFFAOYSA-N- Molecular formula
- C16H22O2
- Average molar mass
- 246.34 g/mol
- Monoisotopic mass
- 246.16197994
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-7-ol, 3,4-dihydro-2,2-dimethyl-6-pentyl-
- IUPAC
- 2,2-dimethyl-6-pentylchromen-7-ol
Names & synonyms
7-Hydroxy-2,2-dimethyl-6-n-pentylchromene2H-1-Benzopyran-7-ol, 3,4-dihydro-2,2-dimethyl-6-pentyl-60796-29-4DTXSID80209630RefChem:268373DTXCID301321212,2-Dimethyl-6-pentyl-2H-1-benzopyran-7-ol
Database identifiers
- CAS
60796-29-4- PubChem CID
- 3045462
- DTXSID
DTXSID80209630
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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