ethyl 5,5-diethoxypent-2-enoate

C11H20O4 — CID 85440878

IUPACethyl 5,5-diethoxypent-2-enoate
SMILESCCOC(=O)C=CCC(OCC)OCC
InChIInChI=1S/C11H20O4/c1-4-13-10(12)8-7-9-11(14-5-2)15-6-3/h7-8,11H,4-6,9H2,1-3H3
InChIKeyZNNZOYQPMWZUGF-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.89
Rot. Bonds8

About ethyl 5,5-diethoxypent-2-enoate

ethyl 5,5-diethoxypent-2-enoate (PubChem CID 85440878) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 5,5-diethoxypent-2-enoate.

Molecular Properties

Compound Nameethyl 5,5-diethoxypent-2-enoate
PubChem CID85440878
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameethyl 5,5-diethoxypent-2-enoate
SMILESCCOC(=O)C=CCC(OCC)OCC
InChIInChI=1S/C11H20O4/c1-4-13-10(12)8-7-9-11(14-5-2)15-6-3/h7-8,11H,4-6,9H2,1-3H3
InChIKeyZNNZOYQPMWZUGF-UHFFFAOYSA-N
XLogP1.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Hexenyl-2-butenoate, (2E,3Z)-
CID 16220110
3-Hexenyl 2-hexenoate, (3Z,2E)-
CID 5367679
2-Pentenedioic acid, 1,5-diethyl ester
CID 637576
2-Butenoic acid, 2-propenylidene ester
CID 5354387
2-Pentenedioic acid, diethyl ester
CID 5356610
2-Butenoic acid, 2-butenylidene ester, (E,E,E)-(8CI,9CI)
CID 6433527
2-Hexenoic acid, 3-hexenyl ester, (?,E)-
CID 21162909
2-Hexenoic acid, 3-hexenyl ester, (?,Z)-
CID 44145844
1,5-Diethyl pent-2-enedioate
CID 74898
1,5-Diethyl pent-2-enedioate
CID 74898
(S,E)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 6364657
(S,E)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 6364657

Frequently Asked Questions

What is the IUPAC name of ethyl 5,5-diethoxypent-2-enoate?
The IUPAC name of ethyl 5,5-diethoxypent-2-enoate (CID 85440878) is ethyl 5,5-diethoxypent-2-enoate.
What is the SMILES notation for ethyl 5,5-diethoxypent-2-enoate?
The canonical SMILES for ethyl 5,5-diethoxypent-2-enoate is CCOC(=O)C=CCC(OCC)OCC.
What is the InChIKey of ethyl 5,5-diethoxypent-2-enoate?
The InChIKey is ZNNZOYQPMWZUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-13-10(12)8-7-9-11(14-5-2)15-6-3/h7-8,11H,4-6,9H2,1-3H3.
What are the key properties of ethyl 5,5-diethoxypent-2-enoate?
ethyl 5,5-diethoxypent-2-enoate has a molecular weight of 216.28 g/mol, XLogP of 1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5-diethoxypent-2-enoate is sourced from PubChem (CID 85440878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).