2-(3-methylbutan-2-yl)furan

C9H14O — CID 54068536

IUPAC2-(3-methylbutan-2-yl)furan
SMILESCC(C)C(C)c1ccco1
InChIInChI=1S/C9H14O/c1-7(2)8(3)9-5-4-6-10-9/h4-8H,1-3H3
InChIKeyXXGMLRVKMUVOHK-UHFFFAOYSA-N
MW138.21 g/mol
LogP3.04
Rot. Bonds2

About 2-(3-methylbutan-2-yl)furan

2-(3-methylbutan-2-yl)furan (PubChem CID 54068536) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(3-methylbutan-2-yl)furan.

Molecular Properties

Compound Name2-(3-methylbutan-2-yl)furan
PubChem CID54068536
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-(3-methylbutan-2-yl)furan
SMILESCC(C)C(C)c1ccco1
InChIInChI=1S/C9H14O/c1-7(2)8(3)9-5-4-6-10-9/h4-8H,1-3H3
InChIKeyXXGMLRVKMUVOHK-UHFFFAOYSA-N
XLogP3.04
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3-methylbutan-2-yl)furan 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-(3-methylbutan-2-yl)furan?
The IUPAC name of 2-(3-methylbutan-2-yl)furan (CID 54068536) is 2-(3-methylbutan-2-yl)furan.
What is the SMILES notation for 2-(3-methylbutan-2-yl)furan?
The canonical SMILES for 2-(3-methylbutan-2-yl)furan is CC(C)C(C)c1ccco1.
What is the InChIKey of 2-(3-methylbutan-2-yl)furan?
The InChIKey is XXGMLRVKMUVOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-7(2)8(3)9-5-4-6-10-9/h4-8H,1-3H3.
What are the key properties of 2-(3-methylbutan-2-yl)furan?
2-(3-methylbutan-2-yl)furan has a molecular weight of 138.21 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-yl)furan is sourced from PubChem (CID 54068536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).