4-ethyl-5-(2-prop-2-enylsulfanylpropyl)-1,3-dioxol-2-one

C11H16O3S — CID 148557368

IUPAC4-ethyl-5-(2-prop-2-enylsulfanylpropyl)-1,3-dioxol-2-one
SMILESC=CCSC(C)Cc1oc(=O)oc1CC
InChIInChI=1S/C11H16O3S/c1-4-6-15-8(3)7-10-9(5-2)13-11(12)14-10/h4,8H,1,5-7H2,2-3H3
InChIKeyMUICUMGHYSLAMY-UHFFFAOYSA-N
MW228.31 g/mol
LogP2.65
Rot. Bonds6

About 4-ethyl-5-(2-prop-2-enylsulfanylpropyl)-1,3-dioxol-2-one

4-ethyl-5-(2-prop-2-enylsulfanylpropyl)-1,3-dioxol-2-one (PubChem CID 148557368) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 4-ethyl-5-(2-prop-2-enylsulfanylpropyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-ethyl-5-(2-prop-2-enylsulfanylpropyl)-1,3-dioxol-2-one
PubChem CID148557368
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name4-ethyl-5-(2-prop-2-enylsulfanylpropyl)-1,3-dioxol-2-one
SMILESC=CCSC(C)Cc1oc(=O)oc1CC
InChIInChI=1S/C11H16O3S/c1-4-6-15-8(3)7-10-9(5-2)13-11(12)14-10/h4,8H,1,5-7H2,2-3H3
InChIKeyMUICUMGHYSLAMY-UHFFFAOYSA-N
XLogP2.65
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-ethyl-5-(2-prop-2-enylsulfanylpropyl)-1,3-dioxol-2-one 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-ethyl-5-(2-prop-2-enylsulfanylpropyl)-1,3-dioxol-2-one?
The IUPAC name of 4-ethyl-5-(2-prop-2-enylsulfanylpropyl)-1,3-dioxol-2-one (CID 148557368) is 4-ethyl-5-(2-prop-2-enylsulfanylpropyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-ethyl-5-(2-prop-2-enylsulfanylpropyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-ethyl-5-(2-prop-2-enylsulfanylpropyl)-1,3-dioxol-2-one is C=CCSC(C)Cc1oc(=O)oc1CC.
What is the InChIKey of 4-ethyl-5-(2-prop-2-enylsulfanylpropyl)-1,3-dioxol-2-one?
The InChIKey is MUICUMGHYSLAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-4-6-15-8(3)7-10-9(5-2)13-11(12)14-10/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 4-ethyl-5-(2-prop-2-enylsulfanylpropyl)-1,3-dioxol-2-one?
4-ethyl-5-(2-prop-2-enylsulfanylpropyl)-1,3-dioxol-2-one has a molecular weight of 228.31 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(2-prop-2-enylsulfanylpropyl)-1,3-dioxol-2-one is sourced from PubChem (CID 148557368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).