4-methyl-1,3-dioxolan-2-one;thiolane 1,1-dioxide

C8H14O5S — CID 70151452

IUPAC4-methyl-1,3-dioxolan-2-one;thiolane 1,1-dioxide
SMILESCC1COC(=O)O1.O=S1(=O)CCCC1
InChIInChI=1S/C4H6O3.C4H8O2S/c1-3-2-6-4(5)7-3;5-7(6)3-1-2-4-7/h3H,2H2,1H3;1-4H2
InChIKeyRCECVKHWIGQJAW-UHFFFAOYSA-N
MW222.26 g/mol
LogP0.74
Rot. Bonds

About 4-methyl-1,3-dioxolan-2-one;thiolane 1,1-dioxide

4-methyl-1,3-dioxolan-2-one;thiolane 1,1-dioxide (PubChem CID 70151452) has the molecular formula C8H14O5S and a molecular weight of 222.26 g/mol. Its IUPAC name is 4-methyl-1,3-dioxolan-2-one;thiolane 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-1,3-dioxolan-2-one;thiolane 1,1-dioxide
PubChem CID70151452
Molecular FormulaC8H14O5S
Molecular Weight222.26 g/mol
Exact Mass222.06
IUPAC Name4-methyl-1,3-dioxolan-2-one;thiolane 1,1-dioxide
SMILESCC1COC(=O)O1.O=S1(=O)CCCC1
InChIInChI=1S/C4H6O3.C4H8O2S/c1-3-2-6-4(5)7-3;5-7(6)3-1-2-4-7/h3H,2H2,1H3;1-4H2
InChIKeyRCECVKHWIGQJAW-UHFFFAOYSA-N
XLogP0.74
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dioxolan-2-one;thiolane 1,1-dioxide?
The IUPAC name of 4-methyl-1,3-dioxolan-2-one;thiolane 1,1-dioxide (CID 70151452) is 4-methyl-1,3-dioxolan-2-one;thiolane 1,1-dioxide.
What is the SMILES notation for 4-methyl-1,3-dioxolan-2-one;thiolane 1,1-dioxide?
The canonical SMILES for 4-methyl-1,3-dioxolan-2-one;thiolane 1,1-dioxide is CC1COC(=O)O1.O=S1(=O)CCCC1.
What is the InChIKey of 4-methyl-1,3-dioxolan-2-one;thiolane 1,1-dioxide?
The InChIKey is RCECVKHWIGQJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.C4H8O2S/c1-3-2-6-4(5)7-3;5-7(6)3-1-2-4-7/h3H,2H2,1H3;1-4H2.
What are the key properties of 4-methyl-1,3-dioxolan-2-one;thiolane 1,1-dioxide?
4-methyl-1,3-dioxolan-2-one;thiolane 1,1-dioxide has a molecular weight of 222.26 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dioxolan-2-one;thiolane 1,1-dioxide is sourced from PubChem (CID 70151452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).