2-[[4-(4-ethylcyclohexyl)cyclohexyl]methyl]-6-methylcyclohexan-1-ol

C22H40O — CID 140611297

IUPAC2-[[4-(4-ethylcyclohexyl)cyclohexyl]methyl]-6-methylcyclohexan-1-ol
SMILESCCC1CCC(C2CCC(CC3CCCC(C)C3O)CC2)CC1
InChIInChI=1S/C22H40O/c1-3-17-7-11-19(12-8-17)20-13-9-18(10-14-20)15-21-6-4-5-16(2)22(21)23/h16-23H,3-15H2,1-2H3
InChIKeyXHJCNUYWJCEJDG-UHFFFAOYSA-N
MW320.56 g/mol
LogP6.20
Rot. Bonds4

About 2-[[4-(4-ethylcyclohexyl)cyclohexyl]methyl]-6-methylcyclohexan-1-ol

2-[[4-(4-ethylcyclohexyl)cyclohexyl]methyl]-6-methylcyclohexan-1-ol (PubChem CID 140611297) has the molecular formula C22H40O and a molecular weight of 320.56 g/mol. Its IUPAC name is 2-[[4-(4-ethylcyclohexyl)cyclohexyl]methyl]-6-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[4-(4-ethylcyclohexyl)cyclohexyl]methyl]-6-methylcyclohexan-1-ol
PubChem CID140611297
Molecular FormulaC22H40O
Molecular Weight320.56 g/mol
Exact Mass320.31
IUPAC Name2-[[4-(4-ethylcyclohexyl)cyclohexyl]methyl]-6-methylcyclohexan-1-ol
SMILESCCC1CCC(C2CCC(CC3CCCC(C)C3O)CC2)CC1
InChIInChI=1S/C22H40O/c1-3-17-7-11-19(12-8-17)20-13-9-18(10-14-20)15-21-6-4-5-16(2)22(21)23/h16-23H,3-15H2,1-2H3
InChIKeyXHJCNUYWJCEJDG-UHFFFAOYSA-N
XLogP6.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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 2-[[4-(4-ethylcyclohexyl)cyclohexyl]methyl]-6-methylcyclohexan-1-ol?
The IUPAC name of 2-[[4-(4-ethylcyclohexyl)cyclohexyl]methyl]-6-methylcyclohexan-1-ol (CID 140611297) is 2-[[4-(4-ethylcyclohexyl)cyclohexyl]methyl]-6-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[[4-(4-ethylcyclohexyl)cyclohexyl]methyl]-6-methylcyclohexan-1-ol?
The canonical SMILES for 2-[[4-(4-ethylcyclohexyl)cyclohexyl]methyl]-6-methylcyclohexan-1-ol is CCC1CCC(C2CCC(CC3CCCC(C)C3O)CC2)CC1.
What is the InChIKey of 2-[[4-(4-ethylcyclohexyl)cyclohexyl]methyl]-6-methylcyclohexan-1-ol?
The InChIKey is XHJCNUYWJCEJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O/c1-3-17-7-11-19(12-8-17)20-13-9-18(10-14-20)15-21-6-4-5-16(2)22(21)23/h16-23H,3-15H2,1-2H3.
What are the key properties of 2-[[4-(4-ethylcyclohexyl)cyclohexyl]methyl]-6-methylcyclohexan-1-ol?
2-[[4-(4-ethylcyclohexyl)cyclohexyl]methyl]-6-methylcyclohexan-1-ol has a molecular weight of 320.56 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-ethylcyclohexyl)cyclohexyl]methyl]-6-methylcyclohexan-1-ol is sourced from PubChem (CID 140611297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).