trans-4-Methylcyclohexane carboxylic acid | SBID = 525 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 37.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 115.1 | ||
| Sum Formula: | C8H14O2 | ||
| M / g/mol: | 142.2 | ||
| Complexity: | 123.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest
- Name: trans-4-Methylcyclohexane carboxylic acid
- Preferred Abbreviation: trans-4-Methylcyclohexane carboxylic acid
- IUPAC Name: 4-methylcyclohexane-1-carboxylic acid
- CAS: 934-67-8
- CID: 20330
- InChiKey: QTDXSEZXAPHVBI-UHFFFAOYSA-N
- InChi: InChI=1S/C8H14O2/c1-6-2-4-7(5-3-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
- CanoSmiles: CC1CCC(CC1)C(=O)O
- IsoSmiles: CC1CCC(CC1)C(=O)O
