4-ethenyl-2-methyl-1,3-oxathiolane

C6H10OS — CID 70230924

IUPAC4-ethenyl-2-methyl-1,3-oxathiolane
SMILESC=CC1COC(C)S1
InChIInChI=1S/C6H10OS/c1-3-6-4-7-5(2)8-6/h3,5-6H,1,4H2,2H3
InChIKeyDLSLGFPDSLOVCB-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.65
Rot. Bonds1

About 4-ethenyl-2-methyl-1,3-oxathiolane

4-ethenyl-2-methyl-1,3-oxathiolane (PubChem CID 70230924) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 4-ethenyl-2-methyl-1,3-oxathiolane.

Molecular Properties

Compound Name4-ethenyl-2-methyl-1,3-oxathiolane
PubChem CID70230924
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name4-ethenyl-2-methyl-1,3-oxathiolane
SMILESC=CC1COC(C)S1
InChIInChI=1S/C6H10OS/c1-3-6-4-7-5(2)8-6/h3,5-6H,1,4H2,2H3
InChIKeyDLSLGFPDSLOVCB-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydrofuranyl ethyl sulfide
CID 129671338
2-Methoxy-2,3-dihydrothiophene
CID 18975119
3-Ethenyl-1,4-oxathiane
CID 57084995
3-Ethylsulfanyl-4-(2-ethylsulfanylbut-3-enoxy)but-1-ene
CID 57235135
4-Ethenyl-1,3-oxathiolane
CID 67189224
4-[(Z)-prop-1-enyl]-1,3-oxathiolane
CID 67191330
4-Prop-1-enyl-1,3-oxathiolane
CID 67191331
5-Methyl-2-prop-2-enyl-1,3-oxathiolane
CID 68129600
4-Ethoxy-3-(1-ethoxybut-3-en-2-ylsulfanyl)but-1-ene
CID 87899820
3-Methylsulfanyl-2,3-dihydrofuran
CID 123921746
4-(2-Methoxyethylsulfanyl)but-1-ene
CID 130683358
But-3-enyl-(oxolan-2-yl)-propylsulfanium
CID 150118292

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methyl-1,3-oxathiolane?
The IUPAC name of 4-ethenyl-2-methyl-1,3-oxathiolane (CID 70230924) is 4-ethenyl-2-methyl-1,3-oxathiolane.
What is the SMILES notation for 4-ethenyl-2-methyl-1,3-oxathiolane?
The canonical SMILES for 4-ethenyl-2-methyl-1,3-oxathiolane is C=CC1COC(C)S1.
What is the InChIKey of 4-ethenyl-2-methyl-1,3-oxathiolane?
The InChIKey is DLSLGFPDSLOVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-3-6-4-7-5(2)8-6/h3,5-6H,1,4H2,2H3.
What are the key properties of 4-ethenyl-2-methyl-1,3-oxathiolane?
4-ethenyl-2-methyl-1,3-oxathiolane has a molecular weight of 130.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methyl-1,3-oxathiolane is sourced from PubChem (CID 70230924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).