[(Z)-but-2-enyl] 2-ethoxycarbonyloxypropanoate

C10H16O5 — CID 5385490

IUPAC[(Z)-but-2-enyl] 2-ethoxycarbonyloxypropanoate
SMILESC/C=C\COC(=O)C(C)OC(=O)OCC
InChIInChI=1S/C10H16O5/c1-4-6-7-14-9(11)8(3)15-10(12)13-5-2/h4,6,8H,5,7H2,1-3H3/b6-4-
InChIKeyAEEDICGMYWCZQZ-XQRVVYSFSA-N
MW216.23 g/mol
LogP1.67
Rot. Bonds5

About [(Z)-but-2-enyl] 2-ethoxycarbonyloxypropanoate

[(Z)-but-2-enyl] 2-ethoxycarbonyloxypropanoate (PubChem CID 5385490) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is [(Z)-but-2-enyl] 2-ethoxycarbonyloxypropanoate.

Molecular Properties

Compound Name[(Z)-but-2-enyl] 2-ethoxycarbonyloxypropanoate
PubChem CID5385490
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name[(Z)-but-2-enyl] 2-ethoxycarbonyloxypropanoate
SMILESC/C=C\COC(=O)C(C)OC(=O)OCC
InChIInChI=1S/C10H16O5/c1-4-6-7-14-9(11)8(3)15-10(12)13-5-2/h4,6,8H,5,7H2,1-3H3/b6-4-
InChIKeyAEEDICGMYWCZQZ-XQRVVYSFSA-N
XLogP1.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-but-2-enyl] 2-ethoxycarbonyloxypropanoate?
The IUPAC name of [(Z)-but-2-enyl] 2-ethoxycarbonyloxypropanoate (CID 5385490) is [(Z)-but-2-enyl] 2-ethoxycarbonyloxypropanoate.
What is the SMILES notation for [(Z)-but-2-enyl] 2-ethoxycarbonyloxypropanoate?
The canonical SMILES for [(Z)-but-2-enyl] 2-ethoxycarbonyloxypropanoate is C/C=C\COC(=O)C(C)OC(=O)OCC.
What is the InChIKey of [(Z)-but-2-enyl] 2-ethoxycarbonyloxypropanoate?
The InChIKey is AEEDICGMYWCZQZ-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H16O5/c1-4-6-7-14-9(11)8(3)15-10(12)13-5-2/h4,6,8H,5,7H2,1-3H3/b6-4-.
What are the key properties of [(Z)-but-2-enyl] 2-ethoxycarbonyloxypropanoate?
[(Z)-but-2-enyl] 2-ethoxycarbonyloxypropanoate has a molecular weight of 216.23 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-but-2-enyl] 2-ethoxycarbonyloxypropanoate is sourced from PubChem (CID 5385490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).