triethyl pent-3-ene-1,1,3-tricarboxylate

C14H22O6 — CID 71335768

IUPACtriethyl pent-3-ene-1,1,3-tricarboxylate
SMILESCC=C(CC(C(=O)OCC)C(=O)OCC)C(=O)OCC
InChIInChI=1S/C14H22O6/c1-5-10(12(15)18-6-2)9-11(13(16)19-7-3)14(17)20-8-4/h5,11H,6-9H2,1-4H3
InChIKeyGDNQGMCVLMRMMP-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.63
Rot. Bonds8

About triethyl pent-3-ene-1,1,3-tricarboxylate

triethyl pent-3-ene-1,1,3-tricarboxylate (PubChem CID 71335768) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is triethyl pent-3-ene-1,1,3-tricarboxylate.

Molecular Properties

Compound Nametriethyl pent-3-ene-1,1,3-tricarboxylate
PubChem CID71335768
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Nametriethyl pent-3-ene-1,1,3-tricarboxylate
SMILESCC=C(CC(C(=O)OCC)C(=O)OCC)C(=O)OCC
InChIInChI=1S/C14H22O6/c1-5-10(12(15)18-6-2)9-11(13(16)19-7-3)14(17)20-8-4/h5,11H,6-9H2,1-4H3
InChIKeyGDNQGMCVLMRMMP-UHFFFAOYSA-N
XLogP1.63
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

triethyl (E)-4-phenylbut-3-ene-1,1,3-tricarboxylate
CID 12021311
1-O-ethyl 5-O-methyl (2E)-2-ethylidene-4-propylpentanedioate
CID 11139298
diethyl 2-acetyl-4-heptylidenepentanedioate
CID 71411269
ethyl (E)-2-(bromomethyl)but-2-enoate
CID 10910713
diethyl (2Z)-2-ethylidenebutanedioate
CID 6377105
diethyl 2-acetyl-4-benzylidenepentanedioate
CID 71411268
diethyl 2-(2-oxopentyl)propanedioate
CID 141107198
diethyl 2-[(Z)-4-methyl-2-methylidenehex-4-enyl]propanedioate
CID 11391525
carbonic acid;bis(diethyl 2-ethylidenebutanedioate)
CID 175387869
tetraethyl (1,3-13C2)propane-1,1,3,3-tetracarboxylate
CID 76973343
ethyl (Z)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]but-2-enoate
CID 23726231
diethyl (2E)-2-heptylidene-4-methylpentanedioate
CID 15370227

Frequently Asked Questions

What is the IUPAC name of triethyl pent-3-ene-1,1,3-tricarboxylate?
The IUPAC name of triethyl pent-3-ene-1,1,3-tricarboxylate (CID 71335768) is triethyl pent-3-ene-1,1,3-tricarboxylate.
What is the SMILES notation for triethyl pent-3-ene-1,1,3-tricarboxylate?
The canonical SMILES for triethyl pent-3-ene-1,1,3-tricarboxylate is CC=C(CC(C(=O)OCC)C(=O)OCC)C(=O)OCC.
What is the InChIKey of triethyl pent-3-ene-1,1,3-tricarboxylate?
The InChIKey is GDNQGMCVLMRMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6/c1-5-10(12(15)18-6-2)9-11(13(16)19-7-3)14(17)20-8-4/h5,11H,6-9H2,1-4H3.
What are the key properties of triethyl pent-3-ene-1,1,3-tricarboxylate?
triethyl pent-3-ene-1,1,3-tricarboxylate has a molecular weight of 286.32 g/mol, XLogP of 1.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl pent-3-ene-1,1,3-tricarboxylate is sourced from PubChem (CID 71335768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).