5-(2-methyl-1-phenylpropan-2-yl)-1,3-oxathiolane

C13H18OS — CID 11009562

IUPAC5-(2-methyl-1-phenylpropan-2-yl)-1,3-oxathiolane
SMILESCC(C)(Cc1ccccc1)C1CSCO1
InChIInChI=1S/C13H18OS/c1-13(2,12-9-15-10-14-12)8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyFESKZUHJDWUEHZ-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.34
Rot. Bonds3

About 5-(2-methyl-1-phenylpropan-2-yl)-1,3-oxathiolane

5-(2-methyl-1-phenylpropan-2-yl)-1,3-oxathiolane (PubChem CID 11009562) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 5-(2-methyl-1-phenylpropan-2-yl)-1,3-oxathiolane.

Molecular Properties

Compound Name5-(2-methyl-1-phenylpropan-2-yl)-1,3-oxathiolane
PubChem CID11009562
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name5-(2-methyl-1-phenylpropan-2-yl)-1,3-oxathiolane
SMILESCC(C)(Cc1ccccc1)C1CSCO1
InChIInChI=1S/C13H18OS/c1-13(2,12-9-15-10-14-12)8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyFESKZUHJDWUEHZ-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxiran-2-yl)-1-phenylpropan-2-amine
CID 87554885
2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane
CID 11971167
(2S)-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxirane
CID 11020033
2-(2-methyl-1-phenylpropan-2-yl)pyrrolidine
CID 83908576
2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane
CID 139677646
4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole
CID 154730338
tert-butyl N-[2-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamate
CID 87172993
2,2-dimethylpropylbenzene;methanol
CID 157125736
(2-fluoro-2-methylpropyl)benzene
CID 14343442
1-phenylpentane-2,2-diol
CID 56635388
[2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene
CID 66796999
(2-ethyl-2-methylbutyl)benzene
CID 123641908

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1-phenylpropan-2-yl)-1,3-oxathiolane?
The IUPAC name of 5-(2-methyl-1-phenylpropan-2-yl)-1,3-oxathiolane (CID 11009562) is 5-(2-methyl-1-phenylpropan-2-yl)-1,3-oxathiolane.
What is the SMILES notation for 5-(2-methyl-1-phenylpropan-2-yl)-1,3-oxathiolane?
The canonical SMILES for 5-(2-methyl-1-phenylpropan-2-yl)-1,3-oxathiolane is CC(C)(Cc1ccccc1)C1CSCO1.
What is the InChIKey of 5-(2-methyl-1-phenylpropan-2-yl)-1,3-oxathiolane?
The InChIKey is FESKZUHJDWUEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-13(2,12-9-15-10-14-12)8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3.
What are the key properties of 5-(2-methyl-1-phenylpropan-2-yl)-1,3-oxathiolane?
5-(2-methyl-1-phenylpropan-2-yl)-1,3-oxathiolane has a molecular weight of 222.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1-phenylpropan-2-yl)-1,3-oxathiolane is sourced from PubChem (CID 11009562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).