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

C12H14OS — CID 11447086

IUPAC5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane
SMILESCC1CSC(/C=C/c2ccccc2)O1
InChIInChI=1S/C12H14OS/c1-10-9-14-12(13-10)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+
InChIKeyBZIMYTHVTZTGPZ-BQYQJAHWSA-N
MW206.31 g/mol
LogP3.18
Rot. Bonds2

About 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane

5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane (PubChem CID 11447086) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane.

Molecular Properties

Compound Name5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane
PubChem CID11447086
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane
SMILESCC1CSC(/C=C/c2ccccc2)O1
InChIInChI=1S/C12H14OS/c1-10-9-14-12(13-10)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+
InChIKeyBZIMYTHVTZTGPZ-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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane?
The IUPAC name of 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane (CID 11447086) is 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane.
What is the SMILES notation for 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane?
The canonical SMILES for 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane is CC1CSC(/C=C/c2ccccc2)O1.
What is the InChIKey of 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane?
The InChIKey is BZIMYTHVTZTGPZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H14OS/c1-10-9-14-12(13-10)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+.
What are the key properties of 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane?
5-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 5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane is sourced from PubChem (CID 11447086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).