Methyl 9-[4-(1-hydroxyethyl)-1-methylcyclohexa-2,4-dien-1-yl]nonanoate
Basic information
- CAS
6268-55-9- Standard SMILES
COC(=O)CCCCCCCCC1(C)C=CC(C(C)O)=CC1- InChIKey
RXXXGBJMULMZIX-UHFFFAOYSA-N- Molecular formula
- C19H32O3
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.23514488
Names & identifiers
- Preferred name
- Methyl 9-[4-(1-hydroxyethyl)-1-methylcyclohexa-2,4-dien-1-yl]nonanoate
- IUPAC
- methyl 9-[4-(1-hydroxyethyl)-1-methylcyclohexa-2,4-dien-1-yl]nonanoate
Names & synonyms
6268-55-9methyl 9-[4-(1-hydroxyethyl)-1-methylcyclohexa-2,4-dien-1-yl]nonanoateNSC36272DTXSID60284228NSC-36272
Database identifiers
- CAS
6268-55-9- PubChem CID
- 235178
- DTXSID
DTXSID60284228
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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