2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol

C16H30O — CID 79423201

IUPAC2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C2CC(C(C)C)CCC2O)CC1
InChIInChI=1S/C16H30O/c1-11(2)14-8-9-16(17)15(10-14)13-6-4-12(3)5-7-13/h11-17H,4-10H2,1-3H3
InChIKeyDEJURGQHBBVHLK-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.25
Rot. Bonds2

About 2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol

2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 79423201) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID79423201
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C2CC(C(C)C)CCC2O)CC1
InChIInChI=1S/C16H30O/c1-11(2)14-8-9-16(17)15(10-14)13-6-4-12(3)5-7-13/h11-17H,4-10H2,1-3H3
InChIKeyDEJURGQHBBVHLK-UHFFFAOYSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol (CID 79423201) is 2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol is CC1CCC(C2CC(C(C)C)CCC2O)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is DEJURGQHBBVHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-11(2)14-8-9-16(17)15(10-14)13-6-4-12(3)5-7-13/h11-17H,4-10H2,1-3H3.
What are the key properties of 2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol?
2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 238.41 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 79423201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).