1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol

C17H32O — CID 64730670

IUPAC1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(C2CC(C)CC(C)C2)CC1
InChIInChI=1S/C17H32O/c1-4-5-15-6-8-17(18,9-7-15)16-11-13(2)10-14(3)12-16/h13-16,18H,4-12H2,1-3H3
InChIKeyLEJZDAARQFQVMS-UHFFFAOYSA-N
MW252.44 g/mol
LogP4.78
Rot. Bonds3

About 1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol

1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol (PubChem CID 64730670) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol
PubChem CID64730670
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(C2CC(C)CC(C)C2)CC1
InChIInChI=1S/C17H32O/c1-4-5-15-6-8-17(18,9-7-15)16-11-13(2)10-14(3)12-16/h13-16,18H,4-12H2,1-3H3
InChIKeyLEJZDAARQFQVMS-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol (CID 64730670) is 1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol is CCCC1CCC(O)(C2CC(C)CC(C)C2)CC1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol?
The InChIKey is LEJZDAARQFQVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-4-5-15-6-8-17(18,9-7-15)16-11-13(2)10-14(3)12-16/h13-16,18H,4-12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol?
1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol has a molecular weight of 252.44 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol is sourced from PubChem (CID 64730670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).