2,6-Dimethylcyclohexanol
PubChem CID: 21428
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| Compound Synonyms | 2,6-DIMETHYLCYCLOHEXANOL, 5337-72-4, 2,6-Dimethylcyclohexan-1-ol, Cyclohexanol, 2,6-dimethyl-, 2,6-Dimethylcyclohexanol,c&t, EINECS 226-264-9, DTXSID70871123, NSC 821, alpha,alpha,alpha-2,6-Dimethylcyclohexanol, MFCD00001502, 2,6-dimethylcyclohexyl alcohol, NSC821, Cyclohexanol,6-dimethyl-, 2,6-dimethyl-cyclohexanol, SCHEMBL771194, 2,6-dimethyl-cyclohexan-1-ol, CHEMBL4533790, DTXCID70818795, NSC-821, FAA33772, AKOS000249687, AKOS021983365, SB83846, BS-22301, CS-0206011, D1578, NS00044509, D89887, EN300-298628, 4-(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)benzamide, Z335244846, 3,3a-Diphenyl-4-thioxo-3,3a,4,8b-tetrahydro-2H-indeno[2,1-d][1,3]oxazol-2-one, 226-264-9 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCC6O))C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 80.6 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethylcyclohexan-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MOISVRZIQDQVPF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -1.353 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.064 |
| Synonyms | 2,6-dimethylcyclohexanol |
| Esol Class | Very soluble |
| Functional Groups | CO |
| Compound Name | 2,6-Dimethylcyclohexanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 128.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -1.9579330000000001 |
| Inchi | InChI=1S/C8H16O/c1-6-4-3-5-7(2)8(6)9/h6-9H,3-5H2,1-2H3 |
| Smiles | CC1CCCC(C1O)C |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Capsella Bursa-Pastoris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Ceratophyllum Demersum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1588 - 3. Outgoing r'ship
FOUND_INto/from Crinum Latifolium (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712111 - 4. Outgoing r'ship
FOUND_INto/from Equisetum Palustre (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700020 - 5. Outgoing r'ship
FOUND_INto/from Taxus Wallichiana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644112 - 6. Outgoing r'ship
FOUND_INto/from Vallisneria Spiralis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1588