2-cyclohexyl-1-(3,5-dimethyl-1-adamantyl)ethanol

C20H34O — CID 79995433

IUPAC2-cyclohexyl-1-(3,5-dimethyl-1-adamantyl)ethanol
SMILESCC12CC3CC(C)(C1)CC(C(O)CC1CCCCC1)(C3)C2
InChIInChI=1S/C20H34O/c1-18-9-16-10-19(2,12-18)14-20(11-16,13-18)17(21)8-15-6-4-3-5-7-15/h15-17,21H,3-14H2,1-2H3
InChIKeyVGCDXBKXVJHOBS-UHFFFAOYSA-N
MW290.49 g/mol
LogP5.31
Rot. Bonds3

About 2-cyclohexyl-1-(3,5-dimethyl-1-adamantyl)ethanol

2-cyclohexyl-1-(3,5-dimethyl-1-adamantyl)ethanol (PubChem CID 79995433) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3,5-dimethyl-1-adamantyl)ethanol.

Molecular Properties

Compound Name2-cyclohexyl-1-(3,5-dimethyl-1-adamantyl)ethanol
PubChem CID79995433
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name2-cyclohexyl-1-(3,5-dimethyl-1-adamantyl)ethanol
SMILESCC12CC3CC(C)(C1)CC(C(O)CC1CCCCC1)(C3)C2
InChIInChI=1S/C20H34O/c1-18-9-16-10-19(2,12-18)14-20(11-16,13-18)17(21)8-15-6-4-3-5-7-15/h15-17,21H,3-14H2,1-2H3
InChIKeyVGCDXBKXVJHOBS-UHFFFAOYSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethyl-1-adamantyl)pent-3-yn-1-ol
CID 79986794
1-(3,5-dimethyl-1-adamantyl)pent-4-yn-1-ol
CID 79986399
2-cyclohexyl-1-(1-methylcyclopentyl)ethanol
CID 115786279
1-(3,5-dimethyl-1-adamantyl)-4-methoxy-4-methylpentan-1-ol
CID 103028190
1-(3,5-dimethyl-1-adamantyl)-2-morpholin-4-ylethanol
CID 6460909
[1-cyclobutyl-3-(3,5-dimethyl-1-adamantyl)propan-2-yl]hydrazine
CID 105310162
2-cyclohexyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755222
[cyclohexyl-(3-methyl-1-adamantyl)methyl]hydrazine
CID 105282078
bis(1,3,5,7-tetramethyladamantane);1,3,5-trimethyladamantane
CID 158906766
1-(3,5-dimethyl-1-adamantyl)prop-2-enylhydrazine
CID 105250143
[(3S,5S)-3,5-dimethyl-1-adamantyl]methanol
CID 98043737
1-(3-methyl-1-adamantyl)-2-propan-2-yloxyethanol
CID 115821585

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3,5-dimethyl-1-adamantyl)ethanol?
The IUPAC name of 2-cyclohexyl-1-(3,5-dimethyl-1-adamantyl)ethanol (CID 79995433) is 2-cyclohexyl-1-(3,5-dimethyl-1-adamantyl)ethanol.
What is the SMILES notation for 2-cyclohexyl-1-(3,5-dimethyl-1-adamantyl)ethanol?
The canonical SMILES for 2-cyclohexyl-1-(3,5-dimethyl-1-adamantyl)ethanol is CC12CC3CC(C)(C1)CC(C(O)CC1CCCCC1)(C3)C2.
What is the InChIKey of 2-cyclohexyl-1-(3,5-dimethyl-1-adamantyl)ethanol?
The InChIKey is VGCDXBKXVJHOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-18-9-16-10-19(2,12-18)14-20(11-16,13-18)17(21)8-15-6-4-3-5-7-15/h15-17,21H,3-14H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-(3,5-dimethyl-1-adamantyl)ethanol?
2-cyclohexyl-1-(3,5-dimethyl-1-adamantyl)ethanol has a molecular weight of 290.49 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3,5-dimethyl-1-adamantyl)ethanol is sourced from PubChem (CID 79995433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).