4-[(4-hydroxycyclohexyl)-(4-methylcyclohexyl)methyl]cyclohexan-1-ol

C20H36O2 — CID 140668648

IUPAC4-[(4-hydroxycyclohexyl)-(4-methylcyclohexyl)methyl]cyclohexan-1-ol
SMILESCC1CCC(C(C2CCC(O)CC2)C2CCC(O)CC2)CC1
InChIInChI=1S/C20H36O2/c1-14-2-4-15(5-3-14)20(16-6-10-18(21)11-7-16)17-8-12-19(22)13-9-17/h14-22H,2-13H2,1H3
InChIKeyDYVRIPUSUHDRGV-UHFFFAOYSA-N
MW308.51 g/mol
LogP4.53
Rot. Bonds3

About 4-[(4-hydroxycyclohexyl)-(4-methylcyclohexyl)methyl]cyclohexan-1-ol

4-[(4-hydroxycyclohexyl)-(4-methylcyclohexyl)methyl]cyclohexan-1-ol (PubChem CID 140668648) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)-(4-methylcyclohexyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)-(4-methylcyclohexyl)methyl]cyclohexan-1-ol
PubChem CID140668648
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name4-[(4-hydroxycyclohexyl)-(4-methylcyclohexyl)methyl]cyclohexan-1-ol
SMILESCC1CCC(C(C2CCC(O)CC2)C2CCC(O)CC2)CC1
InChIInChI=1S/C20H36O2/c1-14-2-4-15(5-3-14)20(16-6-10-18(21)11-7-16)17-8-12-19(22)13-9-17/h14-22H,2-13H2,1H3
InChIKeyDYVRIPUSUHDRGV-UHFFFAOYSA-N
XLogP4.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)-(4-methylcyclohexyl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(4-hydroxycyclohexyl)-(4-methylcyclohexyl)methyl]cyclohexan-1-ol (CID 140668648) is 4-[(4-hydroxycyclohexyl)-(4-methylcyclohexyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)-(4-methylcyclohexyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)-(4-methylcyclohexyl)methyl]cyclohexan-1-ol is CC1CCC(C(C2CCC(O)CC2)C2CCC(O)CC2)CC1.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)-(4-methylcyclohexyl)methyl]cyclohexan-1-ol?
The InChIKey is DYVRIPUSUHDRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2/c1-14-2-4-15(5-3-14)20(16-6-10-18(21)11-7-16)17-8-12-19(22)13-9-17/h14-22H,2-13H2,1H3.
What are the key properties of 4-[(4-hydroxycyclohexyl)-(4-methylcyclohexyl)methyl]cyclohexan-1-ol?
4-[(4-hydroxycyclohexyl)-(4-methylcyclohexyl)methyl]cyclohexan-1-ol has a molecular weight of 308.51 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)-(4-methylcyclohexyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 140668648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).