2,4-Dimethyl-2-isopropylpentanoic acid
Basic information
- CAS
24353-77-3- Standard SMILES
CC(C)CC(C)(C(=O)O)C(C)C- InChIKey
WWPDEUORQAIWDC-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 2,4-Dimethyl-2-isopropylpentanoic acid
- IUPAC
- 2,4-dimethyl-2-propan-2-ylpentanoic acid
- English name
- 2,4-dimethyl-2-isopropylpentanoic acid
- Molecular formula
- C10H20O2
- Molecular weight
- 172.26
Names & synonyms
2,4-Dimethyl-2-isopropylpentanoic acid24353-77-3UNII-MY8H4LSY8WMY8H4LSY8WValeric acid, 2-isopropyl-2,4-dimethyl-(+/-)-2,4-Dimethyl-2-isopropylpentanoic acidPentanoic acid, 2,4-dimethyl-2-(1-methylethyl)-DTXSID7058339SCHEMBL10098426AKOS0214710372,4-Dimethyl-2-(propan-2-yl)pentanoic acidQ27284294
Database identifiers
- CAS
24353-77-3- PubChem CID
- 20056930
- DTXSID
DTXSID7058339- UNII
- MY8H4LSY8W
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- FDA UNII
- 8 H4LSY8W · MY8H4LSY8W
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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