Butyl 9,10-dihydroxyoctadecanoate
Basic information
- CAS
70240-75-4- Standard SMILES
CCCCCCCCC(O)C(O)CCCCCCCC(=O)OCCCC- InChIKey
TWYGFFMOKNIFGX-UHFFFAOYSA-N- Molecular formula
- C22H44O4
- Average molar mass
- 372.6 g/mol
- Monoisotopic mass
- 372.32395988
Names & identifiers
- Preferred name
- Butyl 9,10-dihydroxyoctadecanoate
- IUPAC
- butyl 9,10-dihydroxyoctadecanoate
Names & synonyms
butyl 9,10-dihydroxyoctadecanoate70240-75-4DTXSID40292144RefChem:331020DTXCID30243286NSC80521NCIOpen2_009129butyl 9,10-dihydroxystearateSCHEMBL7879521NSC-80521
Database identifiers
- CAS
70240-75-4- PubChem CID
- 255200
- DTXSID
DTXSID40292144
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 307
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Compound notes
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