ethenyl hydrogen carbonate;thiolane 1,1-dioxide

C7H12O5S — CID 174738238

IUPACethenyl hydrogen carbonate;thiolane 1,1-dioxide
SMILESC=COC(=O)O.O=S1(=O)CCCC1
InChIInChI=1S/C4H8O2S.C3H4O3/c5-7(6)3-1-2-4-7;1-2-6-3(4)5/h1-4H2;2H,1H2,(H,4,5)
InChIKeyBBAUEEMNAWLEIS-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.02
Rot. Bonds1

About ethenyl hydrogen carbonate;thiolane 1,1-dioxide

ethenyl hydrogen carbonate;thiolane 1,1-dioxide (PubChem CID 174738238) has the molecular formula C7H12O5S and a molecular weight of 208.23 g/mol. Its IUPAC name is ethenyl hydrogen carbonate;thiolane 1,1-dioxide.

Molecular Properties

Compound Nameethenyl hydrogen carbonate;thiolane 1,1-dioxide
PubChem CID174738238
Molecular FormulaC7H12O5S
Molecular Weight208.23 g/mol
Exact Mass208.04
IUPAC Nameethenyl hydrogen carbonate;thiolane 1,1-dioxide
SMILESC=COC(=O)O.O=S1(=O)CCCC1
InChIInChI=1S/C4H8O2S.C3H4O3/c5-7(6)3-1-2-4-7;1-2-6-3(4)5/h1-4H2;2H,1H2,(H,4,5)
InChIKeyBBAUEEMNAWLEIS-UHFFFAOYSA-N
XLogP1.02
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethenyl hydrogen carbonate;methane
CID 175034349
acetic acid;thiolane 1,1-dioxide
CID 162314522
acetonitrile;ethenyl hydrogen carbonate
CID 174594655
CID 174946982
CID 174946982
biphenylene;ethenyl hydrogen carbonate
CID 67591083
bis(ethenyl) carbonate;ethene
CID 87073622
ethenyl hydrogen carbonate;2-methylpenta-2,4-dienoic acid
CID 173185262
1-ethenoxycarbonylcyclodecane-1-carboxylic acid
CID 175549049
ethane;thiane 1,1-dioxide;thiolane 1,1-dioxide
CID 162069522
2-ethenoxyethenyl hydrogen carbonate
CID 154397634
butan-2-one;thiolane 1,1-dioxide
CID 20501869
carbonofluoridic acid;ethenyl carbonofluoridate
CID 175081122

Frequently Asked Questions

What is the IUPAC name of ethenyl hydrogen carbonate;thiolane 1,1-dioxide?
The IUPAC name of ethenyl hydrogen carbonate;thiolane 1,1-dioxide (CID 174738238) is ethenyl hydrogen carbonate;thiolane 1,1-dioxide.
What is the SMILES notation for ethenyl hydrogen carbonate;thiolane 1,1-dioxide?
The canonical SMILES for ethenyl hydrogen carbonate;thiolane 1,1-dioxide is C=COC(=O)O.O=S1(=O)CCCC1.
What is the InChIKey of ethenyl hydrogen carbonate;thiolane 1,1-dioxide?
The InChIKey is BBAUEEMNAWLEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S.C3H4O3/c5-7(6)3-1-2-4-7;1-2-6-3(4)5/h1-4H2;2H,1H2,(H,4,5).
What are the key properties of ethenyl hydrogen carbonate;thiolane 1,1-dioxide?
ethenyl hydrogen carbonate;thiolane 1,1-dioxide has a molecular weight of 208.23 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl hydrogen carbonate;thiolane 1,1-dioxide is sourced from PubChem (CID 174738238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).