Basic information
- CAS
2177-81-3- Standard SMILES
CCCCC(C)C(=O)OC- InChIKey
NCFJODHIQVLMQF-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Overview
Methyl 2-methylhexanoate is a fatty acid ester.
Names & identifiers
- Preferred name
- Hexanoic acid, 2-methyl-, methyl ester
- IUPAC
- methyl 2-methylhexanoate
- English name
- Methyl 2-methylhexanoate
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
2177-81-3RefChem:1086610Hexanoic acid, 2-methyl-, methyl esterMethyl 2-methylhexanoate2-Methylhexanoic acid, methyl esterHexanoic acid, 2-methyl, methyl estermethyl alpha-methylhexanoateSCHEMBL2779851SCHEMBL5764497SCHEMBL7675563SCHEMBL27617288DTXSID30334183
Show more names
methyl 2-methylcaproateMETHYL-2-BUTYL-PROPIONATE
CHEBI:167364AKOS006280246F94564
Database identifiers
- CAS
2177-81-3- PubChem CID
- 519892
- DTXSID
DTXSID30334183- ChEBI
CHEBI:167364- Nikkaji
- J1.731.735K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99.4
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
阳谷荣科商贸有限公司15863541132 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
Additional notes
DefinitionChEBI: Methyl 2-methylhexanoate is a fatty acid ester.
Related reactions
6 records
Compound notes
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