Basic information
- CAS
36679-74-0- Standard SMILES
CC(C)CC(C)(C)COC(=O)C(C)C- InChIKey
BEOXQMJRQFNOGX-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Names & identifiers
- Preferred name
- 2,2,4-Trimethylpentyl 2-methylpropanoate
- IUPAC
- 2,2,4-trimethylpentyl 2-methylpropanoate
- English name
- 2,2,4-Trimethylpentylmonoisobutyrate
- Molecular weight
- 0
Names & synonyms
2,2,4-Trimethylpentyl 2-methylpropanoate36679-74-0DTXSID20957926RefChem:1059026DTXCID1013858502,2,4-Trimethylpentyl isobutyrateNSC555802,2,4-Trimethylpentyl monoisobutyrateBRN 1765518AI3-32644SCHEMBL954672Propanoic acid, 2-methyl-, 2,2,4-trimethylpentyl ester
Show more names
2,2,4-Trimethylpentylmonoisobutyrate
SCHEMBL11295042NSC 55580NSC-555802-02-00-00261 (Beilstein Handbook Reference)
Database identifiers
- CAS
36679-74-0- PubChem CID
- 96138
- DTXSID
DTXSID20957926
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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