4-[2-(4-hydroxy-3-methylcyclohexyl)-2-adamantyl]-2-methylcyclohexan-1-ol

C24H40O2 — CID 139983531

IUPAC4-[2-(4-hydroxy-3-methylcyclohexyl)-2-adamantyl]-2-methylcyclohexan-1-ol
SMILESCC1CC(C2(C3CCC(O)C(C)C3)C3CC4CC(C3)CC2C4)CCC1O
InChIInChI=1S/C24H40O2/c1-14-7-18(3-5-22(14)25)24(19-4-6-23(26)15(2)8-19)20-10-16-9-17(12-20)13-21(24)11-16/h14-23,25-26H,3-13H2,1-2H3
InChIKeyVRYLSXUKRMPLQK-UHFFFAOYSA-N
MW360.58 g/mol
LogP5.02
Rot. Bonds2

About 4-[2-(4-hydroxy-3-methylcyclohexyl)-2-adamantyl]-2-methylcyclohexan-1-ol

4-[2-(4-hydroxy-3-methylcyclohexyl)-2-adamantyl]-2-methylcyclohexan-1-ol (PubChem CID 139983531) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-3-methylcyclohexyl)-2-adamantyl]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-3-methylcyclohexyl)-2-adamantyl]-2-methylcyclohexan-1-ol
PubChem CID139983531
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name4-[2-(4-hydroxy-3-methylcyclohexyl)-2-adamantyl]-2-methylcyclohexan-1-ol
SMILESCC1CC(C2(C3CCC(O)C(C)C3)C3CC4CC(C3)CC2C4)CCC1O
InChIInChI=1S/C24H40O2/c1-14-7-18(3-5-22(14)25)24(19-4-6-23(26)15(2)8-19)20-10-16-9-17(12-20)13-21(24)11-16/h14-23,25-26H,3-13H2,1-2H3
InChIKeyVRYLSXUKRMPLQK-UHFFFAOYSA-N
XLogP5.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,4S)-4-(1-adamantyl)-2-methylcyclohexan-1-ol
CID 125470602
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(1S,2S,4S)-2,4-dimethylcyclohexan-1-ol
CID 12779508
(1R,2S,4R)-2,4-dimethylcyclohexan-1-ol
CID 12779510
cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol
CID 172581179
(1S)-2,4-dimethylcyclohexan-1-ol
CID 143035345
4,7,7-trimethylbicyclo[4.1.1]octan-3-ol
CID 90911661
(1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol
CID 124537900
(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol
CID 131177200
bis(2-methyl-2-adamantyl)diazene
CID 134985564
(2S)-2-methyl-4-propylcyclohexan-1-ol
CID 177268723
4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol
CID 139825054

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-3-methylcyclohexyl)-2-adamantyl]-2-methylcyclohexan-1-ol?
The IUPAC name of 4-[2-(4-hydroxy-3-methylcyclohexyl)-2-adamantyl]-2-methylcyclohexan-1-ol (CID 139983531) is 4-[2-(4-hydroxy-3-methylcyclohexyl)-2-adamantyl]-2-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[2-(4-hydroxy-3-methylcyclohexyl)-2-adamantyl]-2-methylcyclohexan-1-ol?
The canonical SMILES for 4-[2-(4-hydroxy-3-methylcyclohexyl)-2-adamantyl]-2-methylcyclohexan-1-ol is CC1CC(C2(C3CCC(O)C(C)C3)C3CC4CC(C3)CC2C4)CCC1O.
What is the InChIKey of 4-[2-(4-hydroxy-3-methylcyclohexyl)-2-adamantyl]-2-methylcyclohexan-1-ol?
The InChIKey is VRYLSXUKRMPLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2/c1-14-7-18(3-5-22(14)25)24(19-4-6-23(26)15(2)8-19)20-10-16-9-17(12-20)13-21(24)11-16/h14-23,25-26H,3-13H2,1-2H3.
What are the key properties of 4-[2-(4-hydroxy-3-methylcyclohexyl)-2-adamantyl]-2-methylcyclohexan-1-ol?
4-[2-(4-hydroxy-3-methylcyclohexyl)-2-adamantyl]-2-methylcyclohexan-1-ol has a molecular weight of 360.58 g/mol, XLogP of 5.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-3-methylcyclohexyl)-2-adamantyl]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 139983531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).