Basic information
- CAS
6297-42-3- Standard SMILES
CCCC(C)C(=O)OCC(C)C- InChIKey
VSNXGQJZBDUEOD-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- Isobutyl 2-methylvalerate
- IUPAC
- 2-methylpropyl 2-methylpentanoate
- English name
- Pentanoic acid, 2-methyl-, 2-methylpropyl ester
- Molecular formula
- C10H20O2
- Molecular weight
- 172.26
Names & synonyms
Isobutyl 2-methylvalerate2-methylpropyl 2-methylpentanoate6297-42-3Isobutyl 2-methylpentanoateIsobutyl 2-methylpentanoate #SCHEMBL3904364SCHEMBL27756273VSNXGQJZBDUEOD-UHFFFAOYSA-DTXSID10280654VSNXGQJZBDUEOD-UHFFFAOYSA-NNSC17886NSC-17886
Show more names
Pentanoic acid, 2-methyl-, 2-methylpropyl ester
Pentanoic acid, 2-methyl, 2-methylpropyl esterInChI=1/C10H20O2/c1-5-6-9(4)10(11)12-7-8(2)3/h8-9H,5-7H2,1-4H3
Database identifiers
- CAS
6297-42-3- PubChem CID
- 226902
- DTXSID
DTXSID10280654- Nikkaji
- J1.425.228B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Chemistry & industry
Suppliers1 total
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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