bis(ethenyl) carbonate

C5H6O3 — CID 15079962

IUPACbis(ethenyl) carbonate
SMILESC=COC(=O)OC=C
InChIInChI=1S/C5H6O3/c1-3-7-5(6)8-4-2/h3-4H,1-2H2
InChIKeyPACOTQGTEZMTOT-UHFFFAOYSA-N
MW114.10 g/mol
LogP1.43
Rot. Bonds2

About bis(ethenyl) carbonate

bis(ethenyl) carbonate (PubChem CID 15079962) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is bis(ethenyl) carbonate.

Molecular Properties

Compound Namebis(ethenyl) carbonate
PubChem CID15079962
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Namebis(ethenyl) carbonate
SMILESC=COC(=O)OC=C
InChIInChI=1S/C5H6O3/c1-3-7-5(6)8-4-2/h3-4H,1-2H2
InChIKeyPACOTQGTEZMTOT-UHFFFAOYSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(ethenyl) carbonate?
The IUPAC name of bis(ethenyl) carbonate (CID 15079962) is bis(ethenyl) carbonate.
What is the SMILES notation for bis(ethenyl) carbonate?
The canonical SMILES for bis(ethenyl) carbonate is C=COC(=O)OC=C.
What is the InChIKey of bis(ethenyl) carbonate?
The InChIKey is PACOTQGTEZMTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3/c1-3-7-5(6)8-4-2/h3-4H,1-2H2.
What are the key properties of bis(ethenyl) carbonate?
bis(ethenyl) carbonate has a molecular weight of 114.10 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethenyl) carbonate is sourced from PubChem (CID 15079962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).