3-Hydroxybutan-2-YL hexadecanoate
Basic information
- CAS
60715-72-2- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OC(C)C(C)O- InChIKey
LDKIUHCQEPSJOK-UHFFFAOYSA-N- Molecular formula
- C20H40O3
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.29774513
Names & identifiers
- Preferred name
- 3-Hydroxybutan-2-YL hexadecanoate
- IUPAC
- 3-hydroxybutan-2-yl hexadecanoate
Names & synonyms
3-HYDROXYBUTAN-2-YL HEXADECANOATE60715-72-2SCHEMBL9368378DTXSID70538486LDKIUHCQEPSJOK-UHFFFAOYSA-N
Database identifiers
- CAS
60715-72-2- PubChem CID
- 13367286
- DTXSID
DTXSID70538486- Nikkaji
- J3.751.731C
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 266
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Compound notes
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