3,5-Dimethylcyclohexan-1-ol
PubChem CID: 21584
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| Compound Synonyms | 3,5-DIMETHYLCYCLOHEXANOL, 5441-52-1, 3,5-Dimethylcyclohexan-1-ol, Cyclohexanol, 3,5-dimethyl-, 767-13-5, 3.5-Dimethylcyclohexanol, EINECS 226-630-8, 767-14-6, DTXSID20871133, NSC 21130, 17373-17-0, (1alpha,3alpha,5beta)-3,5-Dimethylcyclohexanol, MFCD00001447, NSC21130, Cyclohexanol,5-dimethyl-, REL-(1S,3R,5S)-3,5-DIMETHYLCYCLOHEXAN-1-OL, 3,5-dimethyl-cyclohexanol, (1alpha,3alpha,5alpha)-3,5-Dimethylcyclohexanol, 3,5-Dimethylcyclohexanol,c&t, SCHEMBL961521, SCHEMBL18754186, CHEBI:88850, DTXCID60818805, BCP30899, NSC-21130, AKOS009156899, AB86515, BS-28603, DS-017948, CS-0188357, D0702, NS00044477, 3,5-Dimethylcyclohexanol - mixture of isomers, EN300-72416, D89705, (1beta,3alpha,5alpha)-3,5-Dimethylcyclohexanol, 1-(1-Adamantyl)-N-(1-naphthylmethyl)ethanamine, Q27160848, 5,5-Diethyl-6-methylsulfanyl-5H-pyrimidine-2,4-dione, Z1147526321, (1.alpha.,3.alpha.,5.alpha.)-3,5-Dimethyl-cyclohexanol, (1.alpha.,3.alpha.,5.beta.)-3,5-Dimethyl-cyclohexanol, (1.beta.,3.alpha.,5.alpha.)-3,5-Dimethyl-cyclohexanol, 5,5-Diethyl-3-methyl-6-methylimino-dihydro-pyrimidine-2,4-dione, 4-(1,3-Benzodioxol-5-yl)-1-(3-chlorophenyl)-3-phenoxy-2-azetidinone, (6Z)-5,5-Diethyl-3-methyl-6-[(Z)-methylimino]dihydro-2,4(1H,3H)-pyrimidinedione, Cyclohexanol, 3,5-dimethyl-, 3,5-Dimethylcyclohexan-1-ol, Hexahydro-M-5-Xylenol, 226-630-8, 4-(4-Hydroxy-phenyl)-1-(tetrahydro-furan-2-ylmethyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester, Dimethyl 4-(4-hydroxyphenyl)-1-(tetrahydro-2-furanylmethyl)-1,4-dihydro-3,5-pyridinedicarboxylate |
|---|---|
| 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 | Menthane monoterpenoids |
| Deep Smiles | CCCCC)CCC6)O |
| 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 | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dimethylcyclohexan-1-ol |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.2 |
| Superclass | Organic oxygen compounds |
| Subclass | Alcohols and polyols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | WIYNOPYNRFPWNB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 3,5-dimethylcyclohexanol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 3,5-Dimethylcyclohexan-1-ol |
| Kingdom | Organic compounds |
| 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 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H16O/c1-6-3-7(2)5-8(9)4-6/h6-9H,3-5H2,1-2H3 |
| Smiles | CC1CC(CC(C1)O)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Cyclohexanols |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Annona Glabra (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199805/06)13:3<148::aid-ffj711>3.0.co;2-y