Basic information
- CAS
25415-71-8- Standard SMILES
CCCCCOC(=O)CCC(C)C- InChIKey
ZOEZQOYTJSALQT-UHFFFAOYSA-N- Molecular formula
- C11H22O2
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.16197994
Overview
Pentyl 4-methylpentanoate has been reported in Angelica gigas with data available.
Names & identifiers
- Preferred name
- Pentyl 4-methylpentanoate
- IUPAC
- pentyl 4-methylpentanoate
- English name
- 4-Methylpentanoic acid pentyl ester
- Molecular formula
- C11H22O2
- Molecular weight
- 186.29
Names & synonyms
PENTYL 4-METHYLPENTANOATE25415-71-8DTXSID60180079RefChem:1094567DTXCID20102570Pentanoic acid, 4-methyl-, pentyl esterValeric acid, 4-methyl-, pentyl esterAmyl isocaproatepentyl isohexanoate1-Pentyl isocaproateamyl 4-methylvalerateSCHEMBL14944485
Show more names
4-Methylpentanoic acid pentyl ester
ZOEZQOYTJSALQT-UHFFFAOYSA-N
Database identifiers
- CAS
25415-71-8- PubChem CID
- 32967
- DTXSID
DTXSID60180079- Nikkaji
- J99.515K
Properties
Computed structural properties
- XLogP
- 3.5
- 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
- 130
Physicochemical properties
- LogP
- 4.196 · 4.196 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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