bis[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)methyl] carbonate

C7H10O11S2 — CID 155156503

IUPACbis[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)methyl] carbonate
SMILESO=C(OCC1COS(=O)(=O)O1)OCC1COS(=O)(=O)O1
InChIInChI=1S/C7H10O11S2/c8-7(13-1-5-3-15-19(9,10)17-5)14-2-6-4-16-20(11,12)18-6/h5-6H,1-4H2
InChIKeySICQPMVMCDOIKS-UHFFFAOYSA-N
MW334.28 g/mol
LogP-1.54
Rot. Bonds4

About bis[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)methyl] carbonate

bis[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)methyl] carbonate (PubChem CID 155156503) has the molecular formula C7H10O11S2 and a molecular weight of 334.28 g/mol. Its IUPAC name is bis[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)methyl] carbonate.

Molecular Properties

Compound Namebis[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)methyl] carbonate
PubChem CID155156503
Molecular FormulaC7H10O11S2
Molecular Weight334.28 g/mol
Exact Mass333.97
IUPAC Namebis[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)methyl] carbonate
SMILESO=C(OCC1COS(=O)(=O)O1)OCC1COS(=O)(=O)O1
InChIInChI=1S/C7H10O11S2/c8-7(13-1-5-3-15-19(9,10)17-5)14-2-6-4-16-20(11,12)18-6/h5-6H,1-4H2
InChIKeySICQPMVMCDOIKS-UHFFFAOYSA-N
XLogP-1.54
TPSA140.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.28
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

4-(ethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide
CID 153262727
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride
CID 155286842
4,5-bis[3-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)-2-oxopropyl]-1,3-dioxolan-2-one
CID 167202699
4-(2,2-dioxo-1,3,2-dioxathiolan-4-yl)butyl hydrogen sulfate
CID 163555955
oxiran-2-ylmethoxycarbonyl prop-2-enoate
CID 174457272
ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate
CID 87577916
bis[(2-oxo-1,3-oxathiolan-5-yl)methyl] carbonate
CID 155286898
benzyl oxiran-2-ylmethyl carbonate
CID 88672245
4-iodo-1,3,2-dioxathiolane 2,2-dioxide
CID 90360634
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
1,4-dioxan-2-ylmethyl methyl carbonate
CID 21305997

Frequently Asked Questions

What is the IUPAC name of bis[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)methyl] carbonate?
The IUPAC name of bis[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)methyl] carbonate (CID 155156503) is bis[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)methyl] carbonate.
What is the SMILES notation for bis[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)methyl] carbonate?
The canonical SMILES for bis[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)methyl] carbonate is O=C(OCC1COS(=O)(=O)O1)OCC1COS(=O)(=O)O1.
What is the InChIKey of bis[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)methyl] carbonate?
The InChIKey is SICQPMVMCDOIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O11S2/c8-7(13-1-5-3-15-19(9,10)17-5)14-2-6-4-16-20(11,12)18-6/h5-6H,1-4H2.
What are the key properties of bis[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)methyl] carbonate?
bis[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)methyl] carbonate has a molecular weight of 334.28 g/mol, XLogP of -1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2,2-dioxo-1,3,2-dioxathiolan-4-yl)methyl] carbonate is sourced from PubChem (CID 155156503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).