1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol

C22H40O — CID 70917025

IUPAC1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
SMILESCC1CCC(C2CCC(C(C)(O)C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C22H40O/c1-16-4-8-18(9-5-16)19-10-14-21(15-11-19)22(3,23)20-12-6-17(2)7-13-20/h16-21,23H,4-15H2,1-3H3
InChIKeyZSIQUVDEBKJQEU-UHFFFAOYSA-N
MW320.56 g/mol
LogP6.20
Rot. Bonds3

About 1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol

1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol (PubChem CID 70917025) has the molecular formula C22H40O and a molecular weight of 320.56 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
PubChem CID70917025
Molecular FormulaC22H40O
Molecular Weight320.56 g/mol
Exact Mass320.31
IUPAC Name1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
SMILESCC1CCC(C2CCC(C(C)(O)C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C22H40O/c1-16-4-8-18(9-5-16)19-10-14-21(15-11-19)22(3,23)20-12-6-17(2)7-13-20/h16-21,23H,4-15H2,1-3H3
InChIKeyZSIQUVDEBKJQEU-UHFFFAOYSA-N
XLogP6.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.56
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol?
The IUPAC name of 1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol (CID 70917025) is 1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol.
What is the SMILES notation for 1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol?
The canonical SMILES for 1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol is CC1CCC(C2CCC(C(C)(O)C3CCC(C)CC3)CC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol?
The InChIKey is ZSIQUVDEBKJQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O/c1-16-4-8-18(9-5-16)19-10-14-21(15-11-19)22(3,23)20-12-6-17(2)7-13-20/h16-21,23H,4-15H2,1-3H3.
What are the key properties of 1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol?
1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol has a molecular weight of 320.56 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol is sourced from PubChem (CID 70917025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).