2-methyl-2-(2-phenylethyl)-1,3-oxathiolane

C12H16OS — CID 23262133

IUPAC2-methyl-2-(2-phenylethyl)-1,3-oxathiolane
SMILESCC1(CCc2ccccc2)OCCS1
InChIInChI=1S/C12H16OS/c1-12(13-9-10-14-12)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyMPSLMEBPJNUGKF-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.10
Rot. Bonds3

About 2-methyl-2-(2-phenylethyl)-1,3-oxathiolane

2-methyl-2-(2-phenylethyl)-1,3-oxathiolane (PubChem CID 23262133) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-methyl-2-(2-phenylethyl)-1,3-oxathiolane.

Molecular Properties

Compound Name2-methyl-2-(2-phenylethyl)-1,3-oxathiolane
PubChem CID23262133
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name2-methyl-2-(2-phenylethyl)-1,3-oxathiolane
SMILESCC1(CCc2ccccc2)OCCS1
InChIInChI=1S/C12H16OS/c1-12(13-9-10-14-12)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyMPSLMEBPJNUGKF-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-phenylethyl)-1,3-oxathiolane?
The IUPAC name of 2-methyl-2-(2-phenylethyl)-1,3-oxathiolane (CID 23262133) is 2-methyl-2-(2-phenylethyl)-1,3-oxathiolane.
What is the SMILES notation for 2-methyl-2-(2-phenylethyl)-1,3-oxathiolane?
The canonical SMILES for 2-methyl-2-(2-phenylethyl)-1,3-oxathiolane is CC1(CCc2ccccc2)OCCS1.
What is the InChIKey of 2-methyl-2-(2-phenylethyl)-1,3-oxathiolane?
The InChIKey is MPSLMEBPJNUGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-12(13-9-10-14-12)8-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3.
What are the key properties of 2-methyl-2-(2-phenylethyl)-1,3-oxathiolane?
2-methyl-2-(2-phenylethyl)-1,3-oxathiolane has a molecular weight of 208.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-phenylethyl)-1,3-oxathiolane is sourced from PubChem (CID 23262133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).