Basic information
- CAS
66016-19-1- Standard SMILES
CCCCCC1CC(C(=O)O)C1- InChIKey
SGBWSTLGMWTQON-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067982
Names & identifiers
- Preferred name
- Cyclobutanecarboxylic acid, 3-pentyl-
- IUPAC
- 3-pentylcyclobutane-1-carboxylic acid
- English name
- 3-Pentylcyclobutanecarboxylic acid
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
3-Pentyl-cyclobutanecarboxylic acid66016-19-1CYCLOBUTANECARBOXYLIC ACID, 3-PENTYL-BRN 2436746DTXSID00216225RefChem:334935DTXCID001387163-Pentylcyclobutanecarboxylic acid3-pentylcyclobutane-1-carboxylic acidSCHEMBL8773985SCHEMBL8773987SCHEMBL8774187
Show more names
SGBWSTLGMWTQON-UHFFFAOYSA-NDB-425138
Database identifiers
- CAS
66016-19-1- PubChem CID
- 47799
- DTXSID
DTXSID00216225- Nikkaji
- J57.864I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 266.3 · 266.3±8.0 °C(Predicted)
- Density
- 0.999 · 0.999±0.06 g/cm3(Predicted)
- pka
- 4.83 · 4.83±0.40(Predicted)
Chemistry & industry
Suppliers1 total
PRINCETON[email protected]
Related reactions
3 records
Compound notes
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