triethyl (E)-5-trimethylsilylpent-4-ene-1,1,4-tricarboxylate

C17H30O6Si — CID 10926437

IUPACtriethyl (E)-5-trimethylsilylpent-4-ene-1,1,4-tricarboxylate
SMILESCCOC(=O)/C(=C/[Si](C)(C)C)CCC(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C17H30O6Si/c1-7-21-15(18)13(12-24(4,5)6)10-11-14(16(19)22-8-2)17(20)23-9-3/h12,14H,7-11H2,1-6H3/b13-12+
InChIKeyOILZYRFITMONSC-OUKQBFOZSA-N
MW358.51 g/mol
LogP2.88
Rot. Bonds10

About triethyl (E)-5-trimethylsilylpent-4-ene-1,1,4-tricarboxylate

triethyl (E)-5-trimethylsilylpent-4-ene-1,1,4-tricarboxylate (PubChem CID 10926437) has the molecular formula C17H30O6Si and a molecular weight of 358.51 g/mol. Its IUPAC name is triethyl (E)-5-trimethylsilylpent-4-ene-1,1,4-tricarboxylate.

Molecular Properties

Compound Nametriethyl (E)-5-trimethylsilylpent-4-ene-1,1,4-tricarboxylate
PubChem CID10926437
Molecular FormulaC17H30O6Si
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Nametriethyl (E)-5-trimethylsilylpent-4-ene-1,1,4-tricarboxylate
SMILESCCOC(=O)/C(=C/[Si](C)(C)C)CCC(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C17H30O6Si/c1-7-21-15(18)13(12-24(4,5)6)10-11-14(16(19)22-8-2)17(20)23-9-3/h12,14H,7-11H2,1-6H3/b13-12+
InChIKeyOILZYRFITMONSC-OUKQBFOZSA-N
XLogP2.88
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.88
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Methyl 3-acetyloxy-5-methyl-2-methylidenehexanoate
CID 10727363
Ethyl 5-methyl-2-methylidene-6-tri(propan-2-yl)silyloxyhexanoate
CID 134945987
triethyl (E)-6-trimethylsilylhex-5-ene-1,1,5-tricarboxylate
CID 10317194
Bis(2-methylidenehexanoyl) 2-butylpropanedioate
CID 57104561
2-Ethoxycarbonylprop-2-enyl 5-methyl-2-methylidenehexanoate
CID 88467884

Frequently Asked Questions

What is the IUPAC name of triethyl (E)-5-trimethylsilylpent-4-ene-1,1,4-tricarboxylate?
The IUPAC name of triethyl (E)-5-trimethylsilylpent-4-ene-1,1,4-tricarboxylate (CID 10926437) is triethyl (E)-5-trimethylsilylpent-4-ene-1,1,4-tricarboxylate.
What is the SMILES notation for triethyl (E)-5-trimethylsilylpent-4-ene-1,1,4-tricarboxylate?
The canonical SMILES for triethyl (E)-5-trimethylsilylpent-4-ene-1,1,4-tricarboxylate is CCOC(=O)/C(=C/[Si](C)(C)C)CCC(C(=O)OCC)C(=O)OCC.
What is the InChIKey of triethyl (E)-5-trimethylsilylpent-4-ene-1,1,4-tricarboxylate?
The InChIKey is OILZYRFITMONSC-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H30O6Si/c1-7-21-15(18)13(12-24(4,5)6)10-11-14(16(19)22-8-2)17(20)23-9-3/h12,14H,7-11H2,1-6H3/b13-12+.
What are the key properties of triethyl (E)-5-trimethylsilylpent-4-ene-1,1,4-tricarboxylate?
triethyl (E)-5-trimethylsilylpent-4-ene-1,1,4-tricarboxylate has a molecular weight of 358.51 g/mol, XLogP of 2.88, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl (E)-5-trimethylsilylpent-4-ene-1,1,4-tricarboxylate is sourced from PubChem (CID 10926437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).