3-(3,5-dimethylcyclohexyl)butan-2-ol

C12H24O — CID 79423302

IUPAC3-(3,5-dimethylcyclohexyl)butan-2-ol
SMILESCC1CC(C)CC(C(C)C(C)O)C1
InChIInChI=1S/C12H24O/c1-8-5-9(2)7-12(6-8)10(3)11(4)13/h8-13H,5-7H2,1-4H3
InChIKeyCFNARPPUFVVXNT-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.08
Rot. Bonds2

About 3-(3,5-dimethylcyclohexyl)butan-2-ol

3-(3,5-dimethylcyclohexyl)butan-2-ol (PubChem CID 79423302) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexyl)butan-2-ol.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexyl)butan-2-ol
PubChem CID79423302
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-(3,5-dimethylcyclohexyl)butan-2-ol
SMILESCC1CC(C)CC(C(C)C(C)O)C1
InChIInChI=1S/C12H24O/c1-8-5-9(2)7-12(6-8)10(3)11(4)13/h8-13H,5-7H2,1-4H3
InChIKeyCFNARPPUFVVXNT-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylcyclohexyl)butan-2-ol?
The IUPAC name of 3-(3,5-dimethylcyclohexyl)butan-2-ol (CID 79423302) is 3-(3,5-dimethylcyclohexyl)butan-2-ol.
What is the SMILES notation for 3-(3,5-dimethylcyclohexyl)butan-2-ol?
The canonical SMILES for 3-(3,5-dimethylcyclohexyl)butan-2-ol is CC1CC(C)CC(C(C)C(C)O)C1.
What is the InChIKey of 3-(3,5-dimethylcyclohexyl)butan-2-ol?
The InChIKey is CFNARPPUFVVXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-8-5-9(2)7-12(6-8)10(3)11(4)13/h8-13H,5-7H2,1-4H3.
What are the key properties of 3-(3,5-dimethylcyclohexyl)butan-2-ol?
3-(3,5-dimethylcyclohexyl)butan-2-ol has a molecular weight of 184.32 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylcyclohexyl)butan-2-ol is sourced from PubChem (CID 79423302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).