[(Z)-4-ethoxycarbonyloxybut-2-enyl] ethyl carbonate

C10H16O6 — CID 10966362

IUPAC[(Z)-4-ethoxycarbonyloxybut-2-enyl] ethyl carbonate
SMILESCCOC(=O)OC/C=C\COC(=O)OCC
InChIInChI=1S/C10H16O6/c1-3-13-9(11)15-7-5-6-8-16-10(12)14-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-
InChIKeyZKNDENYJHYYPAH-WAYWQWQTSA-N
MW232.23 g/mol
LogP1.89
Rot. Bonds6

About [(Z)-4-ethoxycarbonyloxybut-2-enyl] ethyl carbonate

[(Z)-4-ethoxycarbonyloxybut-2-enyl] ethyl carbonate (PubChem CID 10966362) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is [(Z)-4-ethoxycarbonyloxybut-2-enyl] ethyl carbonate.

Molecular Properties

Compound Name[(Z)-4-ethoxycarbonyloxybut-2-enyl] ethyl carbonate
PubChem CID10966362
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name[(Z)-4-ethoxycarbonyloxybut-2-enyl] ethyl carbonate
SMILESCCOC(=O)OC/C=C\COC(=O)OCC
InChIInChI=1S/C10H16O6/c1-3-13-9(11)15-7-5-6-8-16-10(12)14-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-
InChIKeyZKNDENYJHYYPAH-WAYWQWQTSA-N
XLogP1.89
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-ethoxycarbonyloxybut-2-enyl] ethyl carbonate?
The IUPAC name of [(Z)-4-ethoxycarbonyloxybut-2-enyl] ethyl carbonate (CID 10966362) is [(Z)-4-ethoxycarbonyloxybut-2-enyl] ethyl carbonate.
What is the SMILES notation for [(Z)-4-ethoxycarbonyloxybut-2-enyl] ethyl carbonate?
The canonical SMILES for [(Z)-4-ethoxycarbonyloxybut-2-enyl] ethyl carbonate is CCOC(=O)OC/C=C\COC(=O)OCC.
What is the InChIKey of [(Z)-4-ethoxycarbonyloxybut-2-enyl] ethyl carbonate?
The InChIKey is ZKNDENYJHYYPAH-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H16O6/c1-3-13-9(11)15-7-5-6-8-16-10(12)14-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-.
What are the key properties of [(Z)-4-ethoxycarbonyloxybut-2-enyl] ethyl carbonate?
[(Z)-4-ethoxycarbonyloxybut-2-enyl] ethyl carbonate has a molecular weight of 232.23 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-ethoxycarbonyloxybut-2-enyl] ethyl carbonate is sourced from PubChem (CID 10966362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).