ethenoxycarbonyl ethenyl carbonate

C6H6O5 — CID 87188259

IUPACethenoxycarbonyl ethenyl carbonate
SMILESC=COC(=O)OC(=O)OC=C
InChIInChI=1S/C6H6O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H,1-2H2
InChIKeyHLYIPSZKEYQDSM-UHFFFAOYSA-N
MW158.11 g/mol
LogP1.56
Rot. Bonds2

About ethenoxycarbonyl ethenyl carbonate

ethenoxycarbonyl ethenyl carbonate (PubChem CID 87188259) has the molecular formula C6H6O5 and a molecular weight of 158.11 g/mol. Its IUPAC name is ethenoxycarbonyl ethenyl carbonate.

Molecular Properties

Compound Nameethenoxycarbonyl ethenyl carbonate
PubChem CID87188259
Molecular FormulaC6H6O5
Molecular Weight158.11 g/mol
Exact Mass158.02
IUPAC Nameethenoxycarbonyl ethenyl carbonate
SMILESC=COC(=O)OC(=O)OC=C
InChIInChI=1S/C6H6O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H,1-2H2
InChIKeyHLYIPSZKEYQDSM-UHFFFAOYSA-N
XLogP1.56
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenoxycarbonyl ethenyl carbonate?
The IUPAC name of ethenoxycarbonyl ethenyl carbonate (CID 87188259) is ethenoxycarbonyl ethenyl carbonate.
What is the SMILES notation for ethenoxycarbonyl ethenyl carbonate?
The canonical SMILES for ethenoxycarbonyl ethenyl carbonate is C=COC(=O)OC(=O)OC=C.
What is the InChIKey of ethenoxycarbonyl ethenyl carbonate?
The InChIKey is HLYIPSZKEYQDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H,1-2H2.
What are the key properties of ethenoxycarbonyl ethenyl carbonate?
ethenoxycarbonyl ethenyl carbonate has a molecular weight of 158.11 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxycarbonyl ethenyl carbonate is sourced from PubChem (CID 87188259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).