Neopentyl hexanoate
Basic information
- CAS
65127-75-5- Standard SMILES
CCCCCC(=O)OCC(C)(C)C- InChIKey
SCOAFHPSYBOAGF-UHFFFAOYSA-N- Molecular formula
- C11H22O2
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.16197994
Names & identifiers
- Preferred name
- Neopentyl hexanoate
- IUPAC
- 2,2-dimethylpropyl hexanoate
Names & synonyms
Neopentyl hexanoate65127-75-5Hexanoic acid, 2,2-dimethylpropyl esterDTXSID50340761RefChem:365494DTXCID70291842SCOAFHPSYBOAGF-UHFFFAOYSA-N2,2-dimethylpropyl hexanoateNeopentyl hexanoate #SCHEMBL245738SCHEMBL15387119
Database identifiers
- CAS
65127-75-5- PubChem CID
- 567161
- DTXSID
DTXSID50340761- Nikkaji
- J3.752.586C
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 145
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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