2-(2-methylpropyl)-1,3-oxathiolane

C7H14OS — CID 529631

IUPAC2-(2-methylpropyl)-1,3-oxathiolane
SMILESCC(C)CC1OCCS1
InChIInChI=1S/C7H14OS/c1-6(2)5-7-8-3-4-9-7/h6-7H,3-5H2,1-2H3
InChIKeyFYGCGLKHZOKOQI-UHFFFAOYSA-N
MW146.25 g/mol
LogP2.12
Rot. Bonds2

About 2-(2-methylpropyl)-1,3-oxathiolane

2-(2-methylpropyl)-1,3-oxathiolane (PubChem CID 529631) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,3-oxathiolane.

Molecular Properties

Compound Name2-(2-methylpropyl)-1,3-oxathiolane
PubChem CID529631
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-(2-methylpropyl)-1,3-oxathiolane
SMILESCC(C)CC1OCCS1
InChIInChI=1S/C7H14OS/c1-6(2)5-7-8-3-4-9-7/h6-7H,3-5H2,1-2H3
InChIKeyFYGCGLKHZOKOQI-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Methylethyl)-1,3-oxathiolane
CID 28673
2-Propyl-1,3-oxathiolane
CID 234807
2-Methyl-2-propan-2-yl-1,3-oxathiolane
CID 568480
trans-2-Ethyl-5-methyl-1,3-oxathiolane
CID 142253
1,3-Oxathiolane, 2-(1,1-dimethylethyl)-
CID 12186083
2-Propyl-4-methyl-1,3-oxathiolane
CID 70236140
3-Fluoro-3-methyl-4-methylsulfanyloxolane
CID 123177788
Isopropyl(dimethyl)(tetradecyloxy)silane
CID 529628
Dimethyl[(1-propyldodecyl)oxy]vinylsilane
CID 529633
4-Methyl-2-propan-2-yl-1,3-oxathiolane
CID 142260
(2R)-2-methyl-2-propan-2-yl-1,3-oxathiolane
CID 637781
2-Methoxythiolane
CID 10920496

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1,3-oxathiolane?
The IUPAC name of 2-(2-methylpropyl)-1,3-oxathiolane (CID 529631) is 2-(2-methylpropyl)-1,3-oxathiolane.
What is the SMILES notation for 2-(2-methylpropyl)-1,3-oxathiolane?
The canonical SMILES for 2-(2-methylpropyl)-1,3-oxathiolane is CC(C)CC1OCCS1.
What is the InChIKey of 2-(2-methylpropyl)-1,3-oxathiolane?
The InChIKey is FYGCGLKHZOKOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-6(2)5-7-8-3-4-9-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-1,3-oxathiolane?
2-(2-methylpropyl)-1,3-oxathiolane has a molecular weight of 146.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1,3-oxathiolane is sourced from PubChem (CID 529631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).