4-methyl-2-propan-2-yl-2,5-dihydrofuran

C8H14O — CID 14974563

IUPAC4-methyl-2-propan-2-yl-2,5-dihydrofuran
SMILESCC1=CC(C(C)C)OC1
InChIInChI=1S/C8H14O/c1-6(2)8-4-7(3)5-9-8/h4,6,8H,5H2,1-3H3
InChIKeyQPFHVCVFXLUKER-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds1

About 4-methyl-2-propan-2-yl-2,5-dihydrofuran

4-methyl-2-propan-2-yl-2,5-dihydrofuran (PubChem CID 14974563) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-2,5-dihydrofuran.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-2,5-dihydrofuran
PubChem CID14974563
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-methyl-2-propan-2-yl-2,5-dihydrofuran
SMILESCC1=CC(C(C)C)OC1
InChIInChI=1S/C8H14O/c1-6(2)8-4-7(3)5-9-8/h4,6,8H,5H2,1-3H3
InChIKeyQPFHVCVFXLUKER-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-2-propan-2-yl-2,5-dihydrofuran 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-methyl-2-propan-2-yl-2,5-dihydrofuran?
The IUPAC name of 4-methyl-2-propan-2-yl-2,5-dihydrofuran (CID 14974563) is 4-methyl-2-propan-2-yl-2,5-dihydrofuran.
What is the SMILES notation for 4-methyl-2-propan-2-yl-2,5-dihydrofuran?
The canonical SMILES for 4-methyl-2-propan-2-yl-2,5-dihydrofuran is CC1=CC(C(C)C)OC1.
What is the InChIKey of 4-methyl-2-propan-2-yl-2,5-dihydrofuran?
The InChIKey is QPFHVCVFXLUKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6(2)8-4-7(3)5-9-8/h4,6,8H,5H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yl-2,5-dihydrofuran?
4-methyl-2-propan-2-yl-2,5-dihydrofuran has a molecular weight of 126.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-2,5-dihydrofuran is sourced from PubChem (CID 14974563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).