4-(3,5-dimethylcyclohexyl)pentan-2-ol

C13H26O — CID 64730562

IUPAC4-(3,5-dimethylcyclohexyl)pentan-2-ol
SMILESCC(O)CC(C)C1CC(C)CC(C)C1
InChIInChI=1S/C13H26O/c1-9-5-10(2)7-13(6-9)11(3)8-12(4)14/h9-14H,5-8H2,1-4H3
InChIKeyYTMUYHUMFGSLHL-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.47
Rot. Bonds3

About 4-(3,5-dimethylcyclohexyl)pentan-2-ol

4-(3,5-dimethylcyclohexyl)pentan-2-ol (PubChem CID 64730562) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohexyl)pentan-2-ol.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohexyl)pentan-2-ol
PubChem CID64730562
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name4-(3,5-dimethylcyclohexyl)pentan-2-ol
SMILESCC(O)CC(C)C1CC(C)CC(C)C1
InChIInChI=1S/C13H26O/c1-9-5-10(2)7-13(6-9)11(3)8-12(4)14/h9-14H,5-8H2,1-4H3
InChIKeyYTMUYHUMFGSLHL-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylcyclohexyl)propane-1,2-diol
CID 103452734
3-(3,5-dimethylcyclohexyl)butan-2-ol
CID 79423302
4-(3,5-dimethylcyclohexyl)-N-ethylpentan-2-amine
CID 64729558
1-(4-chlorobutan-2-yl)-3-methylcyclobutane
CID 123326544
1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol
CID 64731273
1-(4,6-dimethyloctan-2-yl)-3-methylcyclobutane
CID 123289124
1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane
CID 123489822
4-(3,5-dimethylcyclohexyl)pentan-2-one
CID 64729153
tris(pentane-2,4-diol);ruthenium
CID 5231187
1-(3,5-dimethylcyclohexyl)butan-1-ol
CID 64729676
3-(3,5-dimethylcyclohexyl)-N-ethylbutan-1-amine
CID 81018914
4-(oxan-3-yl)pentan-2-ol
CID 107137854

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylcyclohexyl)pentan-2-ol?
The IUPAC name of 4-(3,5-dimethylcyclohexyl)pentan-2-ol (CID 64730562) is 4-(3,5-dimethylcyclohexyl)pentan-2-ol.
What is the SMILES notation for 4-(3,5-dimethylcyclohexyl)pentan-2-ol?
The canonical SMILES for 4-(3,5-dimethylcyclohexyl)pentan-2-ol is CC(O)CC(C)C1CC(C)CC(C)C1.
What is the InChIKey of 4-(3,5-dimethylcyclohexyl)pentan-2-ol?
The InChIKey is YTMUYHUMFGSLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-9-5-10(2)7-13(6-9)11(3)8-12(4)14/h9-14H,5-8H2,1-4H3.
What are the key properties of 4-(3,5-dimethylcyclohexyl)pentan-2-ol?
4-(3,5-dimethylcyclohexyl)pentan-2-ol has a molecular weight of 198.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylcyclohexyl)pentan-2-ol is sourced from PubChem (CID 64730562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).