triethyl 5-trimethylsilylpenta-3,4-diene-1,1,1-tricarboxylate

C17H28O6Si — CID 134943726

IUPACtriethyl 5-trimethylsilylpenta-3,4-diene-1,1,1-tricarboxylate
SMILESCCOC(=O)C(CC=C=C[Si](C)(C)C)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C17H28O6Si/c1-7-21-14(18)17(15(19)22-8-2,16(20)23-9-3)12-10-11-13-24(4,5)6/h10,13H,7-9,12H2,1-6H3
InChIKeyKAMMZVYBIMSYDD-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.64
Rot. Bonds9

About triethyl 5-trimethylsilylpenta-3,4-diene-1,1,1-tricarboxylate

triethyl 5-trimethylsilylpenta-3,4-diene-1,1,1-tricarboxylate (PubChem CID 134943726) has the molecular formula C17H28O6Si and a molecular weight of 356.49 g/mol. Its IUPAC name is triethyl 5-trimethylsilylpenta-3,4-diene-1,1,1-tricarboxylate.

Molecular Properties

Compound Nametriethyl 5-trimethylsilylpenta-3,4-diene-1,1,1-tricarboxylate
PubChem CID134943726
Molecular FormulaC17H28O6Si
Molecular Weight356.49 g/mol
Exact Mass356.17
IUPAC Nametriethyl 5-trimethylsilylpenta-3,4-diene-1,1,1-tricarboxylate
SMILESCCOC(=O)C(CC=C=C[Si](C)(C)C)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C17H28O6Si/c1-7-21-14(18)17(15(19)22-8-2,16(20)23-9-3)12-10-11-13-24(4,5)6/h10,13H,7-9,12H2,1-6H3
InChIKeyKAMMZVYBIMSYDD-UHFFFAOYSA-N
XLogP2.64
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.64
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'}

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Frequently Asked Questions

What is the IUPAC name of triethyl 5-trimethylsilylpenta-3,4-diene-1,1,1-tricarboxylate?
The IUPAC name of triethyl 5-trimethylsilylpenta-3,4-diene-1,1,1-tricarboxylate (CID 134943726) is triethyl 5-trimethylsilylpenta-3,4-diene-1,1,1-tricarboxylate.
What is the SMILES notation for triethyl 5-trimethylsilylpenta-3,4-diene-1,1,1-tricarboxylate?
The canonical SMILES for triethyl 5-trimethylsilylpenta-3,4-diene-1,1,1-tricarboxylate is CCOC(=O)C(CC=C=C[Si](C)(C)C)(C(=O)OCC)C(=O)OCC.
What is the InChIKey of triethyl 5-trimethylsilylpenta-3,4-diene-1,1,1-tricarboxylate?
The InChIKey is KAMMZVYBIMSYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O6Si/c1-7-21-14(18)17(15(19)22-8-2,16(20)23-9-3)12-10-11-13-24(4,5)6/h10,13H,7-9,12H2,1-6H3.
What are the key properties of triethyl 5-trimethylsilylpenta-3,4-diene-1,1,1-tricarboxylate?
triethyl 5-trimethylsilylpenta-3,4-diene-1,1,1-tricarboxylate has a molecular weight of 356.49 g/mol, XLogP of 2.64, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl 5-trimethylsilylpenta-3,4-diene-1,1,1-tricarboxylate is sourced from PubChem (CID 134943726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).