2-methylbutoxycyclohexane

C11H22O — CID 20746725

IUPAC2-methylbutoxycyclohexane
SMILESCCC(C)COC1CCCCC1
InChIInChI=1S/C11H22O/c1-3-10(2)9-12-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3
InChIKeyUQZKSUHFZQETGL-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds4

About 2-methylbutoxycyclohexane

2-methylbutoxycyclohexane (PubChem CID 20746725) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-methylbutoxycyclohexane.

Molecular Properties

Compound Name2-methylbutoxycyclohexane
PubChem CID20746725
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-methylbutoxycyclohexane
SMILESCCC(C)COC1CCCCC1
InChIInChI=1S/C11H22O/c1-3-10(2)9-12-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3
InChIKeyUQZKSUHFZQETGL-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methylbutoxycyclohexane 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 2-methylbutoxycyclohexane?
The IUPAC name of 2-methylbutoxycyclohexane (CID 20746725) is 2-methylbutoxycyclohexane.
What is the SMILES notation for 2-methylbutoxycyclohexane?
The canonical SMILES for 2-methylbutoxycyclohexane is CCC(C)COC1CCCCC1.
What is the InChIKey of 2-methylbutoxycyclohexane?
The InChIKey is UQZKSUHFZQETGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-10(2)9-12-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-methylbutoxycyclohexane?
2-methylbutoxycyclohexane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutoxycyclohexane is sourced from PubChem (CID 20746725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).