2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane

C12H14OS — CID 11469817

IUPAC2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane
SMILESCC1(/C=C/c2ccccc2)OCCS1
InChIInChI=1S/C12H14OS/c1-12(13-9-10-14-12)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+
InChIKeyFVVIEVLOEYONMD-BQYQJAHWSA-N
MW206.31 g/mol
LogP3.18
Rot. Bonds2

About 2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane

2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane (PubChem CID 11469817) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane.

Molecular Properties

Compound Name2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane
PubChem CID11469817
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane
SMILESCC1(/C=C/c2ccccc2)OCCS1
InChIInChI=1S/C12H14OS/c1-12(13-9-10-14-12)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+
InChIKeyFVVIEVLOEYONMD-BQYQJAHWSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(2-phenylethenyl)-1,4-dioxane
CID 57070203
2-phenyl-2-[(E)-2-phenylethenyl]-1,3-dithiolane
CID 11346649
6-methyl-6-[(Z)-2-phenylethenyl]spiro[1,2,4-trioxane-3,2'-adamantane]
CID 46210944
2-methyl-2-[(E)-2-phenylethenyl]phenanthro[9,10-d][1,3]dioxole
CID 177393506
1-[(E)-2-phenylethenyl]cyclopropan-1-ol
CID 15686065
4-(hydroxymethyl)-2-(2-phenylethenyl)-1,3-dioxolane-2,4-diol
CID 57077446
4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole
CID 6311587
1-[3,5-dimethyl-7-[(E)-2-phenylethenyl]-1-adamantyl]-3,5-dimethyl-7-[(E)-2-phenylethenyl]adamantane
CID 173113414
1,7-dimethyl-7-(2-phenylethenyl)bicyclo[2.2.1]heptane
CID 161422444
(3Z)-3-benzylidene-2,2-dimethyloxolane
CID 177435571
acetic acid;stilbene
CID 172803728
2-[amino(dimethyl)silyl]ethenylbenzene
CID 70151267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane?
The IUPAC name of 2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane (CID 11469817) is 2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane.
What is the SMILES notation for 2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane?
The canonical SMILES for 2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane is CC1(/C=C/c2ccccc2)OCCS1.
What is the InChIKey of 2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane?
The InChIKey is FVVIEVLOEYONMD-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H14OS/c1-12(13-9-10-14-12)8-7-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3/b8-7+.
What are the key properties of 2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane?
2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane has a molecular weight of 206.31 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane is sourced from PubChem (CID 11469817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).