2-methyl-2-propan-2-yl-1,3-oxathiolane

C7H14OS — CID 568480

IUPAC2-methyl-2-propan-2-yl-1,3-oxathiolane
SMILESCC(C)C1(C)OCCS1
InChIInChI=1S/C7H14OS/c1-6(2)7(3)8-4-5-9-7/h6H,4-5H2,1-3H3
InChIKeyRGMFYYDYJLBLOW-UHFFFAOYSA-N
MW146.25 g/mol
LogP2.12
Rot. Bonds1

About 2-methyl-2-propan-2-yl-1,3-oxathiolane

2-methyl-2-propan-2-yl-1,3-oxathiolane (PubChem CID 568480) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-methyl-2-propan-2-yl-1,3-oxathiolane.

Molecular Properties

Compound Name2-methyl-2-propan-2-yl-1,3-oxathiolane
PubChem CID568480
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-methyl-2-propan-2-yl-1,3-oxathiolane
SMILESCC(C)C1(C)OCCS1
InChIInChI=1S/C7H14OS/c1-6(2)7(3)8-4-5-9-7/h6H,4-5H2,1-3H3
InChIKeyRGMFYYDYJLBLOW-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-yl-1,3-oxathiolane?
The IUPAC name of 2-methyl-2-propan-2-yl-1,3-oxathiolane (CID 568480) is 2-methyl-2-propan-2-yl-1,3-oxathiolane.
What is the SMILES notation for 2-methyl-2-propan-2-yl-1,3-oxathiolane?
The canonical SMILES for 2-methyl-2-propan-2-yl-1,3-oxathiolane is CC(C)C1(C)OCCS1.
What is the InChIKey of 2-methyl-2-propan-2-yl-1,3-oxathiolane?
The InChIKey is RGMFYYDYJLBLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-6(2)7(3)8-4-5-9-7/h6H,4-5H2,1-3H3.
What are the key properties of 2-methyl-2-propan-2-yl-1,3-oxathiolane?
2-methyl-2-propan-2-yl-1,3-oxathiolane has a molecular weight of 146.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-yl-1,3-oxathiolane is sourced from PubChem (CID 568480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).