2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6R)-rel-
PubChem CID: 85568
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| Compound Synonyms | trans-Piperitol, (+)-trans-Piperitenol, (3R,4R)-Piperitol, p-Menth-1-en-3-ol, trans-, 16721-39-4, BLT1PGO03M, 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6R)-rel-, trans-p-Menth-1-en-3-ol, (1R,6R)-6-Isopropyl-3-methyl-cyclohex-2-en-1-ol, F3D9SL651T, E-Piperitol, 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, trans-, trans-6-(Isopropyl)-3-methylcyclohex-2-en-1-ol, (1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol, p-Menth-1-en-3-ol, trans-(+/-)-, 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6R)-, 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R-trans)-, 65733-28-0, Piperitol, trans-, (+-)-trans-Piperitol, UNII-F3D9SL651T, p-Menth-1-en-3-ol, trans-(+-)-, FEMA No. 3179, trans-(+-)-, 6-Isopropyl-3-methyl-2-cyclohexen-1-ol, (E)-, 2-cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-,(1r,6r)-rel-, UNII-BLT1PGO03M, (1R,6R)-6-Isopropyl-3-methylcyclohex-2-enol, rel-, CHEBI:60, (+)-TRANS-PIPERITOL, (+/-)-TRANS-PIPERITOL, DTXSID50884933, EINECS 240-777-5, FEMA NO. 3179, TRANS-(+)-, P-MENTH-1-EN-3-OL, TRANS-(+)-, FEMA NO. 3179, TRANS-(+/-)-, C03039, (1r)-trans-6-isopropyl-3-methyl-cyclohex-2-enol, Q27105215 |
|---|---|
| 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 | CC=C[C@@H][C@H]CC6))CC)C)))O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 158.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Scaffold Graph Node Bond Level | C1=CCCCC1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HPOHAUWWDDPHRS-ZJUUUORDSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8 |
| Logs | -3.708 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.294 |
| Synonyms | piperitol (trans), piperitol, trans, tans-piperitol, trans-piperitol |
| Esol Class | Soluble |
| Functional Groups | CC(C)=CC, CO |
| Compound Name | 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6R)-rel- |
| Prediction Hob Swissadme | 1.0 |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.0722686 |
| Inchi | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3/t9-,10+/m1/s1 |
| Smiles | CC1=C[C@@H]([C@H](CC1)C(C)C)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
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FOUND_INto/from Eucalyptus Sideroxylon (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199701)12:1<19::aid-ffj597>3.0.co;2-f - 61. Outgoing r'ship
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FOUND_INto/from Leptospermum Petersonii (Plant) Rel Props:Reference:https://doi.org/10.1002/1099-1026(200009/10)15:5<342::aid-ffj924>3.0.co;2-v - 80. Outgoing r'ship
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FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 122. Outgoing r'ship
FOUND_INto/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all - 123. Outgoing r'ship
FOUND_INto/from Zanthoxylum Rhetsa (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700364 - 124. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 125. Outgoing r'ship
FOUND_INto/from Zingiber Montanum (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060214