p-Mentha-1(7),8(10)-dien-9-ol
PubChem CID: 34627
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| Compound Synonyms | p-Mentha-1(7),8(10)-dien-9-ol, 29548-13-8, 2-(4-methylidenecyclohexyl)prop-2-en-1-ol, BETA,4-BIS(METHYLENE)CYCLOHEXANEETHANOL, 1(7),8(10)-p-Menthadien-9-ol, SCHEMBL15319201, DTXSID50183731, CHEBI:228937, SDDQNZKSVASSFO-UHFFFAOYSA-N, 2-(4-Methylenecyclohexyl)-2-propen-1-ol, DB-239016, 2-(4-Methylenecyclohexyl)-2-propen-1-ol # |
|---|---|
| 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 | CC1CCCCC1 |
| Np Classifier Class | Monocyclic monoterpenoids |
| Deep Smiles | OCC=C)CCCC=C)CC6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | CC1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 160.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-methylidenecyclohexyl)prop-2-en-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | C=C1CCCCC1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SDDQNZKSVASSFO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.6 |
| Logs | -1.515 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.11 |
| Synonyms | p -mentha-1(7), 8(10)-dien-9-ol, p-mentha-1(7),8(10)-dien-9-ol |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C, CO |
| Compound Name | p-Mentha-1(7),8(10)-dien-9-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.1260694 |
| Inchi | InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h10-11H,1-7H2 |
| Smiles | C=C1CCC(CC1)C(=C)CO |
| Nring | 1.0 |
| 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 Citrus Japonica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698819 - 2. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Ixora Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all