(3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol

C16H30O — CID 107192398

IUPAC(3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol
SMILESCC1CC(C)CC(C(O)C2CCCC2(C)C)C1
InChIInChI=1S/C16H30O/c1-11-8-12(2)10-13(9-11)15(17)14-6-5-7-16(14,3)4/h11-15,17H,5-10H2,1-4H3
InChIKeyGTFMRUPUERYBRH-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.25
Rot. Bonds2

About (3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol

(3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol (PubChem CID 107192398) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol
PubChem CID107192398
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol
SMILESCC1CC(C)CC(C(O)C2CCCC2(C)C)C1
InChIInChI=1S/C16H30O/c1-11-8-12(2)10-13(9-11)15(17)14-6-5-7-16(14,3)4/h11-15,17H,5-10H2,1-4H3
InChIKeyGTFMRUPUERYBRH-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 (3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol?
The IUPAC name of (3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol (CID 107192398) is (3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol is CC1CC(C)CC(C(O)C2CCCC2(C)C)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol?
The InChIKey is GTFMRUPUERYBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-11-8-12(2)10-13(9-11)15(17)14-6-5-7-16(14,3)4/h11-15,17H,5-10H2,1-4H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol?
(3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol 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 (3,5-dimethylcyclohexyl)-(2,2-dimethylcyclopentyl)methanol is sourced from PubChem (CID 107192398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).