Basic information
- CAS
18449-99-5- Standard SMILES
CCCC(C)CC(C)C(=O)OC- InChIKey
RDGCVYZEFBLREA-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- Methyl 2,4-dimethylheptanoate
- IUPAC
- methyl 2,4-dimethylheptanoate
Names & synonyms
Methyl 2,4-dimethylheptanoate18449-99-5DTXSID30339951Heptanoic acid, 2,4-dimethyl-, methyl ester, (2S,4R)-(+)-RefChem:353663DTXCID00291032Heptanoic acid, 2,4-dimethyl-, methyl ester, (R,R)-(-)-RDGCVYZEFBLREA-RKDXNWHRSA-NRDGCVYZEFBLREA-UHFFFAOYSA-NMethyl 2,4-dimethylheptanoate #SCHEMBL28292465
Database identifiers
- CAS
18449-99-5- PubChem CID
- 560286
- DTXSID
DTXSID30339951- Nikkaji
- J3.744.440E
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
- 132
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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