2-pent-2-enyl-4-propyl-1,3-oxathiolane

C11H20OS — CID 175140200

IUPAC2-pent-2-enyl-4-propyl-1,3-oxathiolane
SMILESCCC=CCC1OCC(CCC)S1
InChIInChI=1S/C11H20OS/c1-3-5-6-8-11-12-9-10(13-11)7-4-2/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyCCDBBGQBGWTPAS-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.60
Rot. Bonds5

About 2-pent-2-enyl-4-propyl-1,3-oxathiolane

2-pent-2-enyl-4-propyl-1,3-oxathiolane (PubChem CID 175140200) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-pent-2-enyl-4-propyl-1,3-oxathiolane.

Molecular Properties

Compound Name2-pent-2-enyl-4-propyl-1,3-oxathiolane
PubChem CID175140200
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-pent-2-enyl-4-propyl-1,3-oxathiolane
SMILESCCC=CCC1OCC(CCC)S1
InChIInChI=1S/C11H20OS/c1-3-5-6-8-11-12-9-10(13-11)7-4-2/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyCCDBBGQBGWTPAS-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-pent-2-enyl-4-propyl-1,3-oxathiolane 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-pent-2-enyl-4-propyl-1,3-oxathiolane?
The IUPAC name of 2-pent-2-enyl-4-propyl-1,3-oxathiolane (CID 175140200) is 2-pent-2-enyl-4-propyl-1,3-oxathiolane.
What is the SMILES notation for 2-pent-2-enyl-4-propyl-1,3-oxathiolane?
The canonical SMILES for 2-pent-2-enyl-4-propyl-1,3-oxathiolane is CCC=CCC1OCC(CCC)S1.
What is the InChIKey of 2-pent-2-enyl-4-propyl-1,3-oxathiolane?
The InChIKey is CCDBBGQBGWTPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-3-5-6-8-11-12-9-10(13-11)7-4-2/h5-6,10-11H,3-4,7-9H2,1-2H3.
What are the key properties of 2-pent-2-enyl-4-propyl-1,3-oxathiolane?
2-pent-2-enyl-4-propyl-1,3-oxathiolane has a molecular weight of 200.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-2-enyl-4-propyl-1,3-oxathiolane is sourced from PubChem (CID 175140200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).