1-(3,5-dimethylcyclohexyl)hexan-3-ol

C14H28O — CID 64730162

IUPAC1-(3,5-dimethylcyclohexyl)hexan-3-ol
SMILESCCCC(O)CCC1CC(C)CC(C)C1
InChIInChI=1S/C14H28O/c1-4-5-14(15)7-6-13-9-11(2)8-12(3)10-13/h11-15H,4-10H2,1-3H3
InChIKeyWRIYSTPLTXCNJM-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.00
Rot. Bonds5

About 1-(3,5-dimethylcyclohexyl)hexan-3-ol

1-(3,5-dimethylcyclohexyl)hexan-3-ol (PubChem CID 64730162) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)hexan-3-ol.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)hexan-3-ol
PubChem CID64730162
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-(3,5-dimethylcyclohexyl)hexan-3-ol
SMILESCCCC(O)CCC1CC(C)CC(C)C1
InChIInChI=1S/C14H28O/c1-4-5-14(15)7-6-13-9-11(2)8-12(3)10-13/h11-15H,4-10H2,1-3H3
InChIKeyWRIYSTPLTXCNJM-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.00
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)hexan-3-ol?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)hexan-3-ol (CID 64730162) is 1-(3,5-dimethylcyclohexyl)hexan-3-ol.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)hexan-3-ol?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)hexan-3-ol is CCCC(O)CCC1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)hexan-3-ol?
The InChIKey is WRIYSTPLTXCNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-4-5-14(15)7-6-13-9-11(2)8-12(3)10-13/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)hexan-3-ol?
1-(3,5-dimethylcyclohexyl)hexan-3-ol has a molecular weight of 212.38 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)hexan-3-ol is sourced from PubChem (CID 64730162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).