2-ethenoxyethenyl hydrogen carbonate

C5H6O4 — CID 154397634

IUPAC2-ethenoxyethenyl hydrogen carbonate
SMILESC=COC=COC(=O)O
InChIInChI=1S/C5H6O4/c1-2-8-3-4-9-5(6)7/h2-4H,1H2,(H,6,7)
InChIKeyQNCSHRMVRWAFNT-UHFFFAOYSA-N
MW130.10 g/mol
LogP1.31
Rot. Bonds3

About 2-ethenoxyethenyl hydrogen carbonate

2-ethenoxyethenyl hydrogen carbonate (PubChem CID 154397634) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is 2-ethenoxyethenyl hydrogen carbonate.

Molecular Properties

Compound Name2-ethenoxyethenyl hydrogen carbonate
PubChem CID154397634
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name2-ethenoxyethenyl hydrogen carbonate
SMILESC=COC=COC(=O)O
InChIInChI=1S/C5H6O4/c1-2-8-3-4-9-5(6)7/h2-4H,1H2,(H,6,7)
InChIKeyQNCSHRMVRWAFNT-UHFFFAOYSA-N
XLogP1.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
[(1E)-buta-1,3-dienyl] hydrogen carbonate
CID 102018408
CID 174074799
CID 174074799
4-carboxyoxybuta-1,3-dienyl hydrogen carbonate
CID 87284198
penta-1,4-dienyl hydrogen carbonate
CID 141205856
4-ethenoxybut-3-enoic acid
CID 57021640
2-tert-butylperoxyethenyl hydrogen carbonate
CID 150031597
(E)-but-2-enedioic acid;ethenoxyethene
CID 87702747
carbonic acid;[(E)-2-carboxyoxyethenyl] hydrogen carbonate;diethyl carbonate;fluoroethene
CID 173077026
acetonitrile;ethenyl hydrogen carbonate
CID 174594655
(Z)-but-2-enedioic acid;ethene;ethenoxyethene
CID 173139287
carbonic acid;trifluoromethoxyethene
CID 175150293

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxyethenyl hydrogen carbonate?
The IUPAC name of 2-ethenoxyethenyl hydrogen carbonate (CID 154397634) is 2-ethenoxyethenyl hydrogen carbonate.
What is the SMILES notation for 2-ethenoxyethenyl hydrogen carbonate?
The canonical SMILES for 2-ethenoxyethenyl hydrogen carbonate is C=COC=COC(=O)O.
What is the InChIKey of 2-ethenoxyethenyl hydrogen carbonate?
The InChIKey is QNCSHRMVRWAFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4/c1-2-8-3-4-9-5(6)7/h2-4H,1H2,(H,6,7).
What are the key properties of 2-ethenoxyethenyl hydrogen carbonate?
2-ethenoxyethenyl hydrogen carbonate has a molecular weight of 130.10 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxyethenyl hydrogen carbonate is sourced from PubChem (CID 154397634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).