2-propan-2-ylidene-1,3-oxathiolane 3,3-dioxide

C6H10O3S — CID 58322108

IUPAC2-propan-2-ylidene-1,3-oxathiolane 3,3-dioxide
SMILESCC(C)=C1OCCS1(=O)=O
InChIInChI=1S/C6H10O3S/c1-5(2)6-9-3-4-10(6,7)8/h3-4H2,1-2H3
InChIKeyQZBPKIXDCCJIGF-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.68
Rot. Bonds

About 2-propan-2-ylidene-1,3-oxathiolane 3,3-dioxide

2-propan-2-ylidene-1,3-oxathiolane 3,3-dioxide (PubChem CID 58322108) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-propan-2-ylidene-1,3-oxathiolane 3,3-dioxide.

Molecular Properties

Compound Name2-propan-2-ylidene-1,3-oxathiolane 3,3-dioxide
PubChem CID58322108
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name2-propan-2-ylidene-1,3-oxathiolane 3,3-dioxide
SMILESCC(C)=C1OCCS1(=O)=O
InChIInChI=1S/C6H10O3S/c1-5(2)6-9-3-4-10(6,7)8/h3-4H2,1-2H3
InChIKeyQZBPKIXDCCJIGF-UHFFFAOYSA-N
XLogP0.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylidene-1,3-oxathiolane 3,3-dioxide?
The IUPAC name of 2-propan-2-ylidene-1,3-oxathiolane 3,3-dioxide (CID 58322108) is 2-propan-2-ylidene-1,3-oxathiolane 3,3-dioxide.
What is the SMILES notation for 2-propan-2-ylidene-1,3-oxathiolane 3,3-dioxide?
The canonical SMILES for 2-propan-2-ylidene-1,3-oxathiolane 3,3-dioxide is CC(C)=C1OCCS1(=O)=O.
What is the InChIKey of 2-propan-2-ylidene-1,3-oxathiolane 3,3-dioxide?
The InChIKey is QZBPKIXDCCJIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-5(2)6-9-3-4-10(6,7)8/h3-4H2,1-2H3.
What are the key properties of 2-propan-2-ylidene-1,3-oxathiolane 3,3-dioxide?
2-propan-2-ylidene-1,3-oxathiolane 3,3-dioxide has a molecular weight of 162.21 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylidene-1,3-oxathiolane 3,3-dioxide is sourced from PubChem (CID 58322108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).