1-Adamantanol
PubChem CID: 64152
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| Compound Synonyms | 1-Adamantanol, Adamantan-1-ol, 768-95-6, 1-Hydroxyadamantane, 1-Adamantol, adamantanol, NSC 91633, 1-adamantyl alcohol, MFCD00074729, NSC 108837, EINECS 212-202-8, P9J0B0C8ZB, Tricyclo(3.3.1.13,7)decan-1-ol, Tricyclo[3.3.1.13,7]decan-1-ol, Tricyclo[3.3.1.1(3,7)]decan-1-ol, AI3-61285, NSC-91633, NSC-108837, tricyclo[3.3.1.1~3,7~]decan-1-ol, Tricyclo(3.3.1.1(sup 3,7))decan-1-ol, DTXSID10227620, 1-Adamantanol (1-Hydroxyadamantane), hydroxyadamantane, 1-admantanol, adamantane-1-ol, 1 -adamantanol, Adamantyl Alcohol, Adamantol-(1), UNII-P9J0B0C8ZB, SCHEMBL148421, (3s,5s,7s)-adamantan-1-ol, CHEMBL2041310, SCHEMBL14473233, SCHEMBL23333268, DTXCID60150111, VLLNJDMHDJRNFK-CHIWXEEVSA-N, HMS1758O22, ALBB-020884, NSC91633, STR07597, BBL033940, NSC108837, STK387538, AKOS000264926, AKOS004908005, AKOS015904444, 1-Adamantanol, ReagentPlus(R), 99%, CS-W020580, FA00069, PS-4604, SDCCGMLS-0066229.P001, Tricyclo(3.3.1.1(3,7))-n-decanol, AC-16092, SY010553, 1-Adamantanol, purum, >=99.0% (GC), DB-027356, DB-243016, A0939, NS00037855, EN300-16775, 1-Adamantanol, Vetec(TM) reagent grade, 98%, Tricyclo(3.3.1.1(sup 3,7))decan-1-ol (9CI), Z56771134, F0701-0170, 1-(1-adamantyl)-3-(dimethylamino)propan-1-ol hydrochloride, 1-Hydroxyadamantane, Tricyclo[3.3.1.1~3,7~]decan-1-ol, InChI=1/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H, 212-202-8 |
|---|---|
| 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 | C1C2CC3CC1CC(C2)C3 |
| Deep Smiles | OCCCCCC6)CCC8)C6 |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1C2CC3CC1CC(C2)C3 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | adamantan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | C1C2CC3CC1CC(C2)C3 |
| Inchi Key | VLLNJDMHDJRNFK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1-adamantanol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | 1-Adamantanol |
| 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 |
| Inchi | InChI=1S/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2 |
| Smiles | C1C2CC3CC1CC(C2)(C3)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Hyptis Suaveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2003.10643338