Basic information
- CAS
24551-95-9- Standard SMILES
CCCCC(CCCC)C(=O)OC- InChIKey
AZTDAGYTELUSHF-UHFFFAOYSA-N- Molecular formula
- C11H22O2
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.16197994
Names & identifiers
- Preferred name
- Hexanoic acid, 2-butyl-, methyl ester
- IUPAC
- methyl 2-butylhexanoate
- English name
- 2-Butylcaproic acid methyl ester
- Molecular formula
- C11H22O2
- Molecular weight
- 186.29
Names & synonyms
methyl 2-butylhexanoateHexanoic acid, 2-butyl-, methyl ester24551-95-9Methyl-2-butylhexanoateSCHEMBL8950290DTXSID50334261Q633919702-Butylcaproic acid methyl ester2-Butylhexanoic acid methyl ester
Database identifiers
- CAS
24551-95-9- PubChem CID
- 520137
- DTXSID
DTXSID50334261- Nikkaji
- J45.068E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 206 °C · 206 °C
- Density
- 0.87 · 0.870±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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