ethyl (E)-4-ethoxycarbonyloxypent-2-enoate

C10H16O5 — CID 10856891

IUPACethyl (E)-4-ethoxycarbonyloxypent-2-enoate
SMILESCCOC(=O)/C=C/C(C)OC(=O)OCC
InChIInChI=1S/C10H16O5/c1-4-13-9(11)7-6-8(3)15-10(12)14-5-2/h6-8H,4-5H2,1-3H3/b7-6+
InChIKeyODQQMZFUQGADIW-VOTSOKGWSA-N
MW216.23 g/mol
LogP1.67
Rot. Bonds5

About ethyl (E)-4-ethoxycarbonyloxypent-2-enoate

ethyl (E)-4-ethoxycarbonyloxypent-2-enoate (PubChem CID 10856891) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is ethyl (E)-4-ethoxycarbonyloxypent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-ethoxycarbonyloxypent-2-enoate
PubChem CID10856891
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Nameethyl (E)-4-ethoxycarbonyloxypent-2-enoate
SMILESCCOC(=O)/C=C/C(C)OC(=O)OCC
InChIInChI=1S/C10H16O5/c1-4-13-9(11)7-6-8(3)15-10(12)14-5-2/h6-8H,4-5H2,1-3H3/b7-6+
InChIKeyODQQMZFUQGADIW-VOTSOKGWSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Homaxinolide B
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(S,E)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-ethoxycarbonyloxypent-2-enoate?
The IUPAC name of ethyl (E)-4-ethoxycarbonyloxypent-2-enoate (CID 10856891) is ethyl (E)-4-ethoxycarbonyloxypent-2-enoate.
What is the SMILES notation for ethyl (E)-4-ethoxycarbonyloxypent-2-enoate?
The canonical SMILES for ethyl (E)-4-ethoxycarbonyloxypent-2-enoate is CCOC(=O)/C=C/C(C)OC(=O)OCC.
What is the InChIKey of ethyl (E)-4-ethoxycarbonyloxypent-2-enoate?
The InChIKey is ODQQMZFUQGADIW-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H16O5/c1-4-13-9(11)7-6-8(3)15-10(12)14-5-2/h6-8H,4-5H2,1-3H3/b7-6+.
What are the key properties of ethyl (E)-4-ethoxycarbonyloxypent-2-enoate?
ethyl (E)-4-ethoxycarbonyloxypent-2-enoate 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 ethyl (E)-4-ethoxycarbonyloxypent-2-enoate is sourced from PubChem (CID 10856891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).