4-(2-ethoxyethoxy)-2-prop-2-enylthiolane

C11H20O2S — CID 57193693

IUPAC4-(2-ethoxyethoxy)-2-prop-2-enylthiolane
SMILESC=CCC1CC(OCCOCC)CS1
InChIInChI=1S/C11H20O2S/c1-3-5-11-8-10(9-14-11)13-7-6-12-4-2/h3,10-11H,1,4-9H2,2H3
InChIKeyGWWLTYLXDDUMKR-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.49
Rot. Bonds7

About 4-(2-ethoxyethoxy)-2-prop-2-enylthiolane

4-(2-ethoxyethoxy)-2-prop-2-enylthiolane (PubChem CID 57193693) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-2-prop-2-enylthiolane.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-2-prop-2-enylthiolane
PubChem CID57193693
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name4-(2-ethoxyethoxy)-2-prop-2-enylthiolane
SMILESC=CCC1CC(OCCOCC)CS1
InChIInChI=1S/C11H20O2S/c1-3-5-11-8-10(9-14-11)13-7-6-12-4-2/h3,10-11H,1,4-9H2,2H3
InChIKeyGWWLTYLXDDUMKR-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-2-prop-2-enylthiolane?
The IUPAC name of 4-(2-ethoxyethoxy)-2-prop-2-enylthiolane (CID 57193693) is 4-(2-ethoxyethoxy)-2-prop-2-enylthiolane.
What is the SMILES notation for 4-(2-ethoxyethoxy)-2-prop-2-enylthiolane?
The canonical SMILES for 4-(2-ethoxyethoxy)-2-prop-2-enylthiolane is C=CCC1CC(OCCOCC)CS1.
What is the InChIKey of 4-(2-ethoxyethoxy)-2-prop-2-enylthiolane?
The InChIKey is GWWLTYLXDDUMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c1-3-5-11-8-10(9-14-11)13-7-6-12-4-2/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 4-(2-ethoxyethoxy)-2-prop-2-enylthiolane?
4-(2-ethoxyethoxy)-2-prop-2-enylthiolane has a molecular weight of 216.35 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-2-prop-2-enylthiolane is sourced from PubChem (CID 57193693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).