3-(butan-2-yloxymethyl)cyclohexan-1-ol

C11H22O2 — CID 89198411

IUPAC3-(butan-2-yloxymethyl)cyclohexan-1-ol
SMILESCCC(C)OCC1CCCC(O)C1
InChIInChI=1S/C11H22O2/c1-3-9(2)13-8-10-5-4-6-11(12)7-10/h9-12H,3-8H2,1-2H3
InChIKeyNGLMZYCJENJLSV-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.35
Rot. Bonds4

About 3-(butan-2-yloxymethyl)cyclohexan-1-ol

3-(butan-2-yloxymethyl)cyclohexan-1-ol (PubChem CID 89198411) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-(butan-2-yloxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(butan-2-yloxymethyl)cyclohexan-1-ol
PubChem CID89198411
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-(butan-2-yloxymethyl)cyclohexan-1-ol
SMILESCCC(C)OCC1CCCC(O)C1
InChIInChI=1S/C11H22O2/c1-3-9(2)13-8-10-5-4-6-11(12)7-10/h9-12H,3-8H2,1-2H3
InChIKeyNGLMZYCJENJLSV-UHFFFAOYSA-N
XLogP2.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(butan-2-yloxymethyl)cyclohexan-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-yloxymethyl)cyclohexan-1-ol?
The IUPAC name of 3-(butan-2-yloxymethyl)cyclohexan-1-ol (CID 89198411) is 3-(butan-2-yloxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(butan-2-yloxymethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(butan-2-yloxymethyl)cyclohexan-1-ol is CCC(C)OCC1CCCC(O)C1.
What is the InChIKey of 3-(butan-2-yloxymethyl)cyclohexan-1-ol?
The InChIKey is NGLMZYCJENJLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-9(2)13-8-10-5-4-6-11(12)7-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-(butan-2-yloxymethyl)cyclohexan-1-ol?
3-(butan-2-yloxymethyl)cyclohexan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-yloxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 89198411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).