tetraethyl (E)-dec-5-ene-1,1,10,10-tetracarboxylate

C22H36O8 — CID 135011026

IUPACtetraethyl (E)-dec-5-ene-1,1,10,10-tetracarboxylate
SMILESCCOC(=O)C(CCC/C=C/CCCC(C(=O)OCC)C(=O)OCC)C(=O)OCC
InChIInChI=1S/C22H36O8/c1-5-27-19(23)17(20(24)28-6-2)15-13-11-9-10-12-14-16-18(21(25)29-7-3)22(26)30-8-4/h9-10,17-18H,5-8,11-16H2,1-4H3/b10-9+
InChIKeyUXLFUKZDKWXPFH-MDZDMXLPSA-N
MW428.52 g/mol
LogP3.37
Rot. Bonds16

About tetraethyl (E)-dec-5-ene-1,1,10,10-tetracarboxylate

tetraethyl (E)-dec-5-ene-1,1,10,10-tetracarboxylate (PubChem CID 135011026) has the molecular formula C22H36O8 and a molecular weight of 428.52 g/mol. Its IUPAC name is tetraethyl (E)-dec-5-ene-1,1,10,10-tetracarboxylate.

Molecular Properties

Compound Nametetraethyl (E)-dec-5-ene-1,1,10,10-tetracarboxylate
PubChem CID135011026
Molecular FormulaC22H36O8
Molecular Weight428.52 g/mol
Exact Mass428.24
IUPAC Nametetraethyl (E)-dec-5-ene-1,1,10,10-tetracarboxylate
SMILESCCOC(=O)C(CCC/C=C/CCCC(C(=O)OCC)C(=O)OCC)C(=O)OCC
InChIInChI=1S/C22H36O8/c1-5-27-19(23)17(20(24)28-6-2)15-13-11-9-10-12-14-16-18(21(25)29-7-3)22(26)30-8-4/h9-10,17-18H,5-8,11-16H2,1-4H3/b10-9+
InChIKeyUXLFUKZDKWXPFH-MDZDMXLPSA-N
XLogP3.37
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-[(E)-7-oxooct-4-enyl]propanedioate
CID 11108854
diethyl 2-(5-methylhex-4-enyl)propanedioate
CID 10999682
diethyl 2-[(E)-7-oxooct-2-enyl]propanedioate
CID 12835730
diethyl 2-(8-bromooctyl)propanedioate
CID 12709136
ethyl 2-carbamoylhexanoate
CID 13444608
ethyl (Z,3R)-3-hydroxytetradec-7-enoate
CID 24881362
18-ethoxy-17-ethoxycarbonyl-18-oxooctadecanoic acid
CID 86116026
diethyl 2-(2-bromoethyl)propanedioate
CID 19738440
ethane;ethyl 2-acetylhexanoate
CID 90770730
bis(2-methylpropyl) 2-butylpropanedioate
CID 141396067
ethyl 2-propyloctadec-5-enoate
CID 91292288
methyl (Z)-2-acetylnon-6-enoate
CID 102437787

Frequently Asked Questions

What is the IUPAC name of tetraethyl (E)-dec-5-ene-1,1,10,10-tetracarboxylate?
The IUPAC name of tetraethyl (E)-dec-5-ene-1,1,10,10-tetracarboxylate (CID 135011026) is tetraethyl (E)-dec-5-ene-1,1,10,10-tetracarboxylate.
What is the SMILES notation for tetraethyl (E)-dec-5-ene-1,1,10,10-tetracarboxylate?
The canonical SMILES for tetraethyl (E)-dec-5-ene-1,1,10,10-tetracarboxylate is CCOC(=O)C(CCC/C=C/CCCC(C(=O)OCC)C(=O)OCC)C(=O)OCC.
What is the InChIKey of tetraethyl (E)-dec-5-ene-1,1,10,10-tetracarboxylate?
The InChIKey is UXLFUKZDKWXPFH-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H36O8/c1-5-27-19(23)17(20(24)28-6-2)15-13-11-9-10-12-14-16-18(21(25)29-7-3)22(26)30-8-4/h9-10,17-18H,5-8,11-16H2,1-4H3/b10-9+.
What are the key properties of tetraethyl (E)-dec-5-ene-1,1,10,10-tetracarboxylate?
tetraethyl (E)-dec-5-ene-1,1,10,10-tetracarboxylate has a molecular weight of 428.52 g/mol, XLogP of 3.37, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethyl (E)-dec-5-ene-1,1,10,10-tetracarboxylate is sourced from PubChem (CID 135011026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).