ethyl 2-(2-ethoxycarbonylprop-2-enoxy)pent-4-enoate

C13H20O5 — CID 137371760

IUPACethyl 2-(2-ethoxycarbonylprop-2-enoxy)pent-4-enoate
SMILESC=CCC(OCC(=C)C(=O)OCC)C(=O)OCC
InChIInChI=1S/C13H20O5/c1-5-8-11(13(15)17-7-3)18-9-10(4)12(14)16-6-2/h5,11H,1,4,6-9H2,2-3H3
InChIKeyFSAACJJFBMVJRV-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.63
Rot. Bonds9

About ethyl 2-(2-ethoxycarbonylprop-2-enoxy)pent-4-enoate

ethyl 2-(2-ethoxycarbonylprop-2-enoxy)pent-4-enoate (PubChem CID 137371760) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 2-(2-ethoxycarbonylprop-2-enoxy)pent-4-enoate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxycarbonylprop-2-enoxy)pent-4-enoate
PubChem CID137371760
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Nameethyl 2-(2-ethoxycarbonylprop-2-enoxy)pent-4-enoate
SMILESC=CCC(OCC(=C)C(=O)OCC)C(=O)OCC
InChIInChI=1S/C13H20O5/c1-5-8-11(13(15)17-7-3)18-9-10(4)12(14)16-6-2/h5,11H,1,4,6-9H2,2-3H3
InChIKeyFSAACJJFBMVJRV-UHFFFAOYSA-N
XLogP1.63
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Bis(1-oxo-1-((prop-2-en-1-yl)oxy)propan-2-yl) 2-methylidenebutanedioate
CID 96463
Dimethyl 2-methoxy-3-methylidenebutanedioate
CID 14064874
Ethyl 2-methylidene-3-pent-4-enylperoxybutanoate
CID 11085540
dimethyl (2S)-2-acetyloxy-3-methylidenebutanedioate
CID 101784076
1-Ethyl 4-methyl 2-(1-ethoxycarbonyl-2-methoxycarbonylallyloxy)-3-methylenebutanedioate
CID 129709561
Ethyl 2-prop-2-enoxypent-4-enoate
CID 134979680
[(2R)-1-ethoxy-1-oxopropan-2-yl] 3-hydroperoxy-2-methylidenebutanoate
CID 134995620
[2-(2-Methylprop-2-enoyloxy)-3-oxo-3-prop-2-enoxypropyl] 2-methylprop-2-enoate
CID 20152506
[2-(2-Methylprop-2-enoyloxy)-3-oxopent-4-enyl] 2-methylprop-2-enoate
CID 22184325
Bis(prop-2-enyl) 2-(2-methylprop-2-enoyloxy)butanedioate
CID 54313812
2-[1-(2-Methylprop-2-enoyloxy)pent-4-en-2-yloxy]pent-4-enyl 2-methylprop-2-enoate
CID 57259724
3-Acetoxy-2-allyloxy-pent-4-enoic acid ethyl ester
CID 57723933

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxycarbonylprop-2-enoxy)pent-4-enoate?
The IUPAC name of ethyl 2-(2-ethoxycarbonylprop-2-enoxy)pent-4-enoate (CID 137371760) is ethyl 2-(2-ethoxycarbonylprop-2-enoxy)pent-4-enoate.
What is the SMILES notation for ethyl 2-(2-ethoxycarbonylprop-2-enoxy)pent-4-enoate?
The canonical SMILES for ethyl 2-(2-ethoxycarbonylprop-2-enoxy)pent-4-enoate is C=CCC(OCC(=C)C(=O)OCC)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-ethoxycarbonylprop-2-enoxy)pent-4-enoate?
The InChIKey is FSAACJJFBMVJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5/c1-5-8-11(13(15)17-7-3)18-9-10(4)12(14)16-6-2/h5,11H,1,4,6-9H2,2-3H3.
What are the key properties of ethyl 2-(2-ethoxycarbonylprop-2-enoxy)pent-4-enoate?
ethyl 2-(2-ethoxycarbonylprop-2-enoxy)pent-4-enoate has a molecular weight of 256.30 g/mol, XLogP of 1.63, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxycarbonylprop-2-enoxy)pent-4-enoate is sourced from PubChem (CID 137371760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).