Basic information
- CAS
94133-55-8- Standard SMILES
CCCCCC(C)C(=O)OCCC(C)C- InChIKey
LRFCJZFOGFVMEL-UHFFFAOYSA-N- Molecular formula
- C13H26O2
- Average molar mass
- 214.34 g/mol
- Monoisotopic mass
- 214.19328007
Names & identifiers
- Preferred name
- 3-Methylbutyl 2-methylheptanoate
- IUPAC
- 3-methylbutyl 2-methylheptanoate
- English name
- 3-methylbutyl 2-methylheptanoate
- Molecular formula
- C13H26O2
- Molecular weight
- 214.34434
Names & synonyms
3-Methylbutyl 2-methylheptanoate94133-55-8EINECS 302-716-1DTXSID80916392RefChem:94851DTXCID201345354302-716-1SCHEMBL7217380LRFCJZFOGFVMEL-UHFFFAOYSA-NNS00063033Heptanoic acid, 2-methyl-, 3-methylbutyl ester2-Methylheptanoic acid 3-methylbutyl ester
Database identifiers
- CAS
94133-55-8- PubChem CID
- 3023637
- DTXSID
DTXSID80916392- EC Number
- 302-716-1
- Nikkaji
- J368.170J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- LogP
- 5.059 · 5.059 (est)
Chemistry & industry
Suppliers2 total
上海问彩新材料科技有限公司15721586846 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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