3-butan-2-yl-2,6-dimethylcyclohexan-1-ol

C12H24O — CID 58534554

IUPAC3-butan-2-yl-2,6-dimethylcyclohexan-1-ol
SMILESCCC(C)C1CCC(C)C(O)C1C
InChIInChI=1S/C12H24O/c1-5-8(2)11-7-6-9(3)12(13)10(11)4/h8-13H,5-7H2,1-4H3
InChIKeyBKQOLNCMSAEJGN-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.08
Rot. Bonds2

About 3-butan-2-yl-2,6-dimethylcyclohexan-1-ol

3-butan-2-yl-2,6-dimethylcyclohexan-1-ol (PubChem CID 58534554) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-butan-2-yl-2,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name3-butan-2-yl-2,6-dimethylcyclohexan-1-ol
PubChem CID58534554
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-butan-2-yl-2,6-dimethylcyclohexan-1-ol
SMILESCCC(C)C1CCC(C)C(O)C1C
InChIInChI=1S/C12H24O/c1-5-8(2)11-7-6-9(3)12(13)10(11)4/h8-13H,5-7H2,1-4H3
InChIKeyBKQOLNCMSAEJGN-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

Analyze 3-butan-2-yl-2,6-dimethylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2,6-dimethylcyclohexan-1-ol?
The IUPAC name of 3-butan-2-yl-2,6-dimethylcyclohexan-1-ol (CID 58534554) is 3-butan-2-yl-2,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for 3-butan-2-yl-2,6-dimethylcyclohexan-1-ol?
The canonical SMILES for 3-butan-2-yl-2,6-dimethylcyclohexan-1-ol is CCC(C)C1CCC(C)C(O)C1C.
What is the InChIKey of 3-butan-2-yl-2,6-dimethylcyclohexan-1-ol?
The InChIKey is BKQOLNCMSAEJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-5-8(2)11-7-6-9(3)12(13)10(11)4/h8-13H,5-7H2,1-4H3.
What are the key properties of 3-butan-2-yl-2,6-dimethylcyclohexan-1-ol?
3-butan-2-yl-2,6-dimethylcyclohexan-1-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-butan-2-yl-2,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 58534554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).