2,2-Bis(hydroxymethyl)butyl decanoate
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Basic information
- CAS
64131-19-7- Standard SMILES
CCCCCCCCCC(=O)OCC(CC)(CO)CO- InChIKey
WRVVCBZDSPNHLD-UHFFFAOYSA-N- Molecular formula
- C16H32O4
- Average molar mass
- 288.42 g/mol
- Monoisotopic mass
- 288.2300595
Names & identifiers
- Preferred name
- 2,2-Bis(hydroxymethyl)butyl decanoate
- IUPAC
- 2,2-bis(hydroxymethyl)butyl decanoate
- English name
- 2,2-bis(hydroxymethyl)butyl decanoate
- Molecular formula
- C16H32O4
- Molecular weight
- 288.42
Names & synonyms
2,2-Bis(hydroxymethyl)butyl decanoateEINECS 264-687-064131-19-7SCHEMBL2519777DTXSID60982636WRVVCBZDSPNHLD-UHFFFAOYSA-NNS00053333Trimethylolpropane decanoateDecanoic acid 2,2-bis(hydroxymethyl)butyl ester
Database identifiers
- CAS
64131-19-7- PubChem CID
- 3017488
- DTXSID
DTXSID60982636- EC Number
- 264-687-0
- Nikkaji
- J114.950D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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