5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole

C9H10OS — CID 142074058

IUPAC5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole
SMILESC=CC1=C(/C=C\C)SC(=C)O1
InChIInChI=1S/C9H10OS/c1-4-6-9-8(5-2)10-7(3)11-9/h4-6H,2-3H2,1H3/b6-4-
InChIKeyHAOIFYHLFGFRJS-XQRVVYSFSA-N
MW166.24 g/mol
LogP3.19
Rot. Bonds2

About 5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole

5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole (PubChem CID 142074058) has the molecular formula C9H10OS and a molecular weight of 166.24 g/mol. Its IUPAC name is 5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole.

Molecular Properties

Compound Name5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole
PubChem CID142074058
Molecular FormulaC9H10OS
Molecular Weight166.24 g/mol
Exact Mass166.05
IUPAC Name5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole
SMILESC=CC1=C(/C=C\C)SC(=C)O1
InChIInChI=1S/C9H10OS/c1-4-6-9-8(5-2)10-7(3)11-9/h4-6H,2-3H2,1H3/b6-4-
InChIKeyHAOIFYHLFGFRJS-XQRVVYSFSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethenyl-4-methylidene-2-[(Z)-prop-1-enyl]thiopyran
CID 143340610
6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran
CID 70273510
4-[2,6-bis(ethenyl)-3,5-bis[(Z)-prop-1-enyl]pyran-4-ylidene]-3-[(1Z)-buta-1,3-dienyl]-2,6-dimethyl-5-[(Z)-prop-1-enyl]pyran
CID 167166643
6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one
CID 134485479
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 142875398
5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine
CID 163864435
2-ethenyl-3-[(Z)-prop-1-enyl]-1H-pyrrol-1-ium
CID 143136443
4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazol-2-one
CID 130247435
but-1-ene;ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-6,7-dihydro-5H-1,4-dioxepine;propane
CID 177189450
6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydropyran-4-one
CID 155711315
2-ethenyl-5-methyl-3,4-bis[(Z)-prop-1-enyl]furan
CID 142510186
(5E,6E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-6-prop-2-enylidene-4H-1,4-thiazine
CID 143411150

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole?
The IUPAC name of 5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole (CID 142074058) is 5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole.
What is the SMILES notation for 5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole?
The canonical SMILES for 5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole is C=CC1=C(/C=C\C)SC(=C)O1.
What is the InChIKey of 5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole?
The InChIKey is HAOIFYHLFGFRJS-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H10OS/c1-4-6-9-8(5-2)10-7(3)11-9/h4-6H,2-3H2,1H3/b6-4-.
What are the key properties of 5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole?
5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole has a molecular weight of 166.24 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole is sourced from PubChem (CID 142074058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).