4-Isopropylcyclohexanol
PubChem CID: 20739
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| Compound Synonyms | 4-ISOPROPYLCYCLOHEXANOL, trans-4-Isopropylcyclohexanol, 4621-04-9, 15890-36-5, 4-iso-Propylcyclohexanol, 22900-08-9, cis-4-isopropylcyclohexanol, Cyclohexanol, 4-(1-methylethyl)-, cis-opropylcyclohexanol, p-Isopropylcyclohexanol, Cyclohexanol, 4-(1-methylethyl)-, cis-, Cyclohexanol, 4-isopropyl-, Cyclohexanol, 4-(1-methylethyl)-, trans-, Cyclohexanol, p-isopropyl-, 4-propan-2-ylcyclohexan-1-ol, 4-Isopropylcyclohexanol, trans-, 4-(Propan-2-Yl)Cyclohexan-1-Ol, 4-Isopropylcyclohexanol, cis-, DTXSID2047149, (1s,4s)-4-(propan-2-yl)cyclohexan-1-ol, EINECS 225-035-0, trans-4-(1-Methylethyl)cyclohexanol, MFCD13563116, NSC 21123, Q5HS2TR1NE, BRN 2322224, AI3-18156, DTXCID0027149, NSC-21123, Cyclohexanol, cis-4-(1-methylethyl), 365047QI0X, 3N745V536F, Cyclohexanol, trans-4-(1-methylethyl), 2-06-00-00035 (Beilstein Handbook Reference), APO PATCHONE, UNII-Q5HS2TR1NE, 4-isopropylcyclohexan-1-ol, trans-4-isopropyl cyclohexanol, CCRIS 8052, UNII-365047QI0X, Cyclohexanol, 4-isopropyl-, cis-, NSC21123, Cyclohexanol, 4-isopropyl-, trans-, MFCD00043476, MFCD02752781, FOLROSIA, SCHEMBL42884, SCHEMBL766799, SCHEMBL6757968, SCHEMBL7750243, CHEMBL3187028, SCHEMBL15445652, UNII-3N745V536F, WLN: L6TJ AQ DY1&1, DKKRDMLKVSKFMJ-DTORHVGOSA-N, Cyclohexanol, 4-isopropyl-(8CI), BCP30882, XAA90008, cis-4-(1-methylethyl)-cyclohexanol, Tox21_302454, 4-(1-METHYLETHYL)CYCLOHEXANOL, AKOS012000610, AKOS015838432, FS-3800, PB40903, NCGC00256716-01, AS-78970, BS-43904, SY117101, SY223892, TS-04225, CAS-4621-04-9, DB-210664, CS-0154260, CS-0183516, CS-0309454, I0780, I0782, NS00012729, (1R,4R)-4-ISOPROPYLCYCLOHEXAN-1-OL, 4-iso-Propylcyclohexanol, Isopropyl cyclohexanol, D78896, D84253, T71864, EN300-1587692, EN300-1839792, Q27256517, Q27287024, Z995158660, 225-035-0 |
|---|---|
| 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 | CCCCCCCC6))O)))))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.9 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-propan-2-ylcyclohexan-1-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H18O |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DKKRDMLKVSKFMJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -2.168 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.534 |
| Synonyms | 4-isopropylcyclohexanol, 4-isopropylcyclohexanol (isomer2) |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 4-Isopropylcyclohexanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 142.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 142.24 |
| 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 | -2.2813004 |
| Inchi | InChI=1S/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3 |
| Smiles | CC(C)C1CCC(CC1)O |
| 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 Adiantum Incisum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Aglaia Forbesii (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Asarum Forbesii (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643827 - 5. Outgoing r'ship
FOUND_INto/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all