3,4-dimethyl-2,5-dihydrofuran;ethane

C10H22O — CID 168951375

IUPAC3,4-dimethyl-2,5-dihydrofuran;ethane
SMILESCC.CC.CC1=C(C)COC1
InChIInChI=1S/C6H10O.2C2H6/c1-5-3-7-4-6(5)2;2*1-2/h3-4H2,1-2H3;2*1-2H3
InChIKeyQTWIXTCINYPJAF-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.41
Rot. Bonds

About 3,4-dimethyl-2,5-dihydrofuran;ethane

3,4-dimethyl-2,5-dihydrofuran;ethane (PubChem CID 168951375) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3,4-dimethyl-2,5-dihydrofuran;ethane.

Molecular Properties

Compound Name3,4-dimethyl-2,5-dihydrofuran;ethane
PubChem CID168951375
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3,4-dimethyl-2,5-dihydrofuran;ethane
SMILESCC.CC.CC1=C(C)COC1
InChIInChI=1S/C6H10O.2C2H6/c1-5-3-7-4-6(5)2;2*1-2/h3-4H2,1-2H3;2*1-2H3
InChIKeyQTWIXTCINYPJAF-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-dimethyl-2,5-dihydrofuran;ethane 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 3,4-dimethyl-2,5-dihydrofuran;ethane?
The IUPAC name of 3,4-dimethyl-2,5-dihydrofuran;ethane (CID 168951375) is 3,4-dimethyl-2,5-dihydrofuran;ethane.
What is the SMILES notation for 3,4-dimethyl-2,5-dihydrofuran;ethane?
The canonical SMILES for 3,4-dimethyl-2,5-dihydrofuran;ethane is CC.CC.CC1=C(C)COC1.
What is the InChIKey of 3,4-dimethyl-2,5-dihydrofuran;ethane?
The InChIKey is QTWIXTCINYPJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.2C2H6/c1-5-3-7-4-6(5)2;2*1-2/h3-4H2,1-2H3;2*1-2H3.
What are the key properties of 3,4-dimethyl-2,5-dihydrofuran;ethane?
3,4-dimethyl-2,5-dihydrofuran;ethane has a molecular weight of 158.28 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,5-dihydrofuran;ethane is sourced from PubChem (CID 168951375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).