Basic information
- CAS
6637-50-9- Standard SMILES
CCC(CC)(CC)CC(=O)O- InChIKey
QMMDXTOYMCXXDF-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- 3,3-Diethylpentanoic acid
- IUPAC
- 3,3-diethylpentanoic acid
Names & synonyms
3,3-diethylpentanoic acid6637-50-9DTXSID90287823RefChem:270263DTXCID30238970NSC52665SCHEMBL3138394SCHEMBL17392941SCHEMBL28599929QMMDXTOYMCXXDF-UHFFFAOYSA-NNSC-52665
Database identifiers
- CAS
6637-50-9- PubChem CID
- 243262
- DTXSID
DTXSID90287823
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 117
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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