4-(3-methylbutan-2-yloxy)cyclohexene

C11H20O — CID 89432419

IUPAC4-(3-methylbutan-2-yloxy)cyclohexene
SMILESCC(C)C(C)OC1CC=CCC1
InChIInChI=1S/C11H20O/c1-9(2)10(3)12-11-7-5-4-6-8-11/h4-5,9-11H,6-8H2,1-3H3
InChIKeyKHFFGHSEFOKXKA-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds3

About 4-(3-methylbutan-2-yloxy)cyclohexene

4-(3-methylbutan-2-yloxy)cyclohexene (PubChem CID 89432419) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-(3-methylbutan-2-yloxy)cyclohexene.

Molecular Properties

Compound Name4-(3-methylbutan-2-yloxy)cyclohexene
PubChem CID89432419
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-(3-methylbutan-2-yloxy)cyclohexene
SMILESCC(C)C(C)OC1CC=CCC1
InChIInChI=1S/C11H20O/c1-9(2)10(3)12-11-7-5-4-6-8-11/h4-5,9-11H,6-8H2,1-3H3
InChIKeyKHFFGHSEFOKXKA-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(3-methylbutan-2-yloxy)cyclohexene 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-methylbutan-2-yloxy)cyclohexene?
The IUPAC name of 4-(3-methylbutan-2-yloxy)cyclohexene (CID 89432419) is 4-(3-methylbutan-2-yloxy)cyclohexene.
What is the SMILES notation for 4-(3-methylbutan-2-yloxy)cyclohexene?
The canonical SMILES for 4-(3-methylbutan-2-yloxy)cyclohexene is CC(C)C(C)OC1CC=CCC1.
What is the InChIKey of 4-(3-methylbutan-2-yloxy)cyclohexene?
The InChIKey is KHFFGHSEFOKXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)10(3)12-11-7-5-4-6-8-11/h4-5,9-11H,6-8H2,1-3H3.
What are the key properties of 4-(3-methylbutan-2-yloxy)cyclohexene?
4-(3-methylbutan-2-yloxy)cyclohexene has a molecular weight of 168.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-yloxy)cyclohexene is sourced from PubChem (CID 89432419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).