4-Ethylcyclohexanol
PubChem CID: 78293
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| Compound Synonyms | 4-Ethylcyclohexanol, trans-4-Ethylcyclohexanol, 4534-74-1, 19781-62-5, CIS-4-ETHYLCYCLOHEXANOL, 19781-61-4, 4-ethylcyclohexan-1-ol, Cyclohexanol, 4-ethyl-, cis-, Cyclohexanol, 4-ethyl-, trans-, Cyclohexanol, 4-ethyl-, 4-Ethylcyclohexanol,c&t, trans-4-Ethyl cyclohexanol, EINECS 224-878-1, MFCD00001450, 4WX4RJ6FFB, 4-cis-4-Ethylcyclohexanol, 4-Ethylcyclohexanol, cis-, 4-Ethylcyclohexanol, trans-, A8GG7C6AP2, D2R95X8PXB, (1r,4r)-4-ethylcyclohexanol, (1S,4R)-4-ETHYLCYCLOHEXAN-1-OL, DTXSID30196485, NSC 21118, NSC-21118, (1R,4S)-4-ETHYLCYCLOHEXAN-1-OL, 4-Ethylcyclohexanol (cis- and trans- mixture), AI3-37925, MFCD00070694, UNII-4WX4RJ6FFB, (cis)-4-ethylcyclohexanol, UNII-A8GG7C6AP2, UNII-D2R95X8PXB, SCHEMBL42588, SCHEMBL42589, Cyclohexanol,4-ethyl-,trans-, (1s,4s)-4-ethylcyclohexanol, SCHEMBL2208297, SCHEMBL5585495, 4-Ethylcyclohexanol, AldrichCPR, SCHEMBL10343976, DTXCID40118976, RVTKUJWGFBADIN-ZKCHVHJHSA-N, DTXSID101312435, DTXSID301314013, 4-Ethylcyclohexanol, cis + trans, EAA53474, NSC21118, AKOS000249634, AKOS006271543, AKOS025294833, SB66828, SB84078, AS-48172, BS-16844, SY049799, CS-0152471, CS-0180939, E0366, E0768, NS00031525, D71246, EN300-268371, F19617, 224-878-1 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 72.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-ethylcyclohexan-1-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Is Pains | False |
| Molecular Formula | C8H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RVTKUJWGFBADIN-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 4-Ethylcyclohexanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.12 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 128.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 128.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.036833 |
| Inchi | InChI=1S/C8H16O/c1-2-7-3-5-8(9)6-4-7/h7-9H,2-6H2,1H3 |
| Smiles | CCC1CCC(CC1)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients