2,6,6-Trimethylcyclohex-2-ene-1-methanol
PubChem CID: 97932
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| Compound Synonyms | 6627-74-3, (2,6,6-trimethylcyclohex-2-en-1-yl)methanol, 2,6,6-Trimethylcyclohex-2-ene-1-methanol, alpha-Cyclogeraniol, EINECS 229-598-3, .alpha.-Cyclogeraniol, 2-Cyclohexene-1-methanol, 2,6,6-trimethyl-, NSC 60225, NSC-60225, 2,6,6-trimethyl-2-cyclohexene-1-methanol, (2,6,6-Trimethyl-2-cyclohexen-1-yl)methanol, NSC60225, D5QPL5T97W, SCHEMBL4668057, DTXSID90871165, NS00045901, Q67879669, 229-598-3 |
|---|---|
| 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 |
| Deep Smiles | OCCC=CCCC6C)C)))))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 168.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2,6,6-trimethylcyclohex-2-en-1-yl)methanol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Scaffold Graph Node Bond Level | C1=CCCCC1 |
| Inchi Key | WFBRXMMODZGJPF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | α- cyclogeraniol+, α-cyclogeraniol |
| Esol Class | Soluble |
| Functional Groups | CC=C(C)C, CO |
| Compound Name | 2,6,6-Trimethylcyclohex-2-ene-1-methanol |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h5,9,11H,4,6-7H2,1-3H3 |
| Smiles | CC1=CCCC(C1CO)(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cymbopogon Citratus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699521 - 2. Outgoing r'ship
FOUND_INto/from Persicaria Bistorta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662600