2-(3,4-dimethylcyclohexyl)oxy-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C19H36O2 — CID 64746363

IUPAC2-(3,4-dimethylcyclohexyl)oxy-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(OC2CCC(C)C(C)C2)C1
InChIInChI=1S/C19H36O2/c1-6-19(4,5)15-8-10-17(20)18(12-15)21-16-9-7-13(2)14(3)11-16/h13-18,20H,6-12H2,1-5H3
InChIKeyGWADMQOBNXXKLU-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.79
Rot. Bonds4

About 2-(3,4-dimethylcyclohexyl)oxy-4-(2-methylbutan-2-yl)cyclohexan-1-ol

2-(3,4-dimethylcyclohexyl)oxy-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 64746363) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID64746363
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)C(OC2CCC(C)C(C)C2)C1
InChIInChI=1S/C19H36O2/c1-6-19(4,5)15-8-10-17(20)18(12-15)21-16-9-7-13(2)14(3)11-16/h13-18,20H,6-12H2,1-5H3
InChIKeyGWADMQOBNXXKLU-UHFFFAOYSA-N
XLogP4.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 64746363) is 2-(3,4-dimethylcyclohexyl)oxy-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)C(OC2CCC(C)C(C)C2)C1.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is GWADMQOBNXXKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-6-19(4,5)15-8-10-17(20)18(12-15)21-16-9-7-13(2)14(3)11-16/h13-18,20H,6-12H2,1-5H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
2-(3,4-dimethylcyclohexyl)oxy-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 296.50 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxy-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 64746363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).