4-(3,4-dimethylcyclohexyl)oxybutan-2-ol

C12H24O2 — CID 64746178

IUPAC4-(3,4-dimethylcyclohexyl)oxybutan-2-ol
SMILESCC(O)CCOC1CCC(C)C(C)C1
InChIInChI=1S/C12H24O2/c1-9-4-5-12(8-10(9)2)14-7-6-11(3)13/h9-13H,4-8H2,1-3H3
InChIKeyKTKYPDAXKFCWTO-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.60
Rot. Bonds4

About 4-(3,4-dimethylcyclohexyl)oxybutan-2-ol

4-(3,4-dimethylcyclohexyl)oxybutan-2-ol (PubChem CID 64746178) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 4-(3,4-dimethylcyclohexyl)oxybutan-2-ol.

Molecular Properties

Compound Name4-(3,4-dimethylcyclohexyl)oxybutan-2-ol
PubChem CID64746178
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name4-(3,4-dimethylcyclohexyl)oxybutan-2-ol
SMILESCC(O)CCOC1CCC(C)C(C)C1
InChIInChI=1S/C12H24O2/c1-9-4-5-12(8-10(9)2)14-7-6-11(3)13/h9-13H,4-8H2,1-3H3
InChIKeyKTKYPDAXKFCWTO-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-dimethylcyclohexyl)oxybutan-2-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 4-(3,4-dimethylcyclohexyl)oxybutan-2-ol?
The IUPAC name of 4-(3,4-dimethylcyclohexyl)oxybutan-2-ol (CID 64746178) is 4-(3,4-dimethylcyclohexyl)oxybutan-2-ol.
What is the SMILES notation for 4-(3,4-dimethylcyclohexyl)oxybutan-2-ol?
The canonical SMILES for 4-(3,4-dimethylcyclohexyl)oxybutan-2-ol is CC(O)CCOC1CCC(C)C(C)C1.
What is the InChIKey of 4-(3,4-dimethylcyclohexyl)oxybutan-2-ol?
The InChIKey is KTKYPDAXKFCWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-9-4-5-12(8-10(9)2)14-7-6-11(3)13/h9-13H,4-8H2,1-3H3.
What are the key properties of 4-(3,4-dimethylcyclohexyl)oxybutan-2-ol?
4-(3,4-dimethylcyclohexyl)oxybutan-2-ol has a molecular weight of 200.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylcyclohexyl)oxybutan-2-ol is sourced from PubChem (CID 64746178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).