diethyl 2-[(E)-5-methyl-6-trimethylsilylhex-4-enyl]propanedioate

C17H32O4Si — CID 12986894

IUPACdiethyl 2-[(E)-5-methyl-6-trimethylsilylhex-4-enyl]propanedioate
SMILESCCOC(=O)C(CCC/C=C(\C)C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C17H32O4Si/c1-7-20-16(18)15(17(19)21-8-2)12-10-9-11-14(3)13-22(4,5)6/h11,15H,7-10,12-13H2,1-6H3/b14-11+
InChIKeyQEAVBLITDBBKAM-SDNWHVSQSA-N
MW328.53 g/mol
LogP4.18
Rot. Bonds10

About diethyl 2-[(E)-5-methyl-6-trimethylsilylhex-4-enyl]propanedioate

diethyl 2-[(E)-5-methyl-6-trimethylsilylhex-4-enyl]propanedioate (PubChem CID 12986894) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is diethyl 2-[(E)-5-methyl-6-trimethylsilylhex-4-enyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(E)-5-methyl-6-trimethylsilylhex-4-enyl]propanedioate
PubChem CID12986894
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Namediethyl 2-[(E)-5-methyl-6-trimethylsilylhex-4-enyl]propanedioate
SMILESCCOC(=O)C(CCC/C=C(\C)C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C17H32O4Si/c1-7-20-16(18)15(17(19)21-8-2)12-10-9-11-14(3)13-22(4,5)6/h11,15H,7-10,12-13H2,1-6H3/b14-11+
InChIKeyQEAVBLITDBBKAM-SDNWHVSQSA-N
XLogP4.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diethyl 2-[(E)-5-methyl-6-trimethylsilylhex-4-enyl]propanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(E)-5-methyl-6-trimethylsilylhex-4-enyl]propanedioate?
The IUPAC name of diethyl 2-[(E)-5-methyl-6-trimethylsilylhex-4-enyl]propanedioate (CID 12986894) is diethyl 2-[(E)-5-methyl-6-trimethylsilylhex-4-enyl]propanedioate.
What is the SMILES notation for diethyl 2-[(E)-5-methyl-6-trimethylsilylhex-4-enyl]propanedioate?
The canonical SMILES for diethyl 2-[(E)-5-methyl-6-trimethylsilylhex-4-enyl]propanedioate is CCOC(=O)C(CCC/C=C(\C)C[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-[(E)-5-methyl-6-trimethylsilylhex-4-enyl]propanedioate?
The InChIKey is QEAVBLITDBBKAM-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-7-20-16(18)15(17(19)21-8-2)12-10-9-11-14(3)13-22(4,5)6/h11,15H,7-10,12-13H2,1-6H3/b14-11+.
What are the key properties of diethyl 2-[(E)-5-methyl-6-trimethylsilylhex-4-enyl]propanedioate?
diethyl 2-[(E)-5-methyl-6-trimethylsilylhex-4-enyl]propanedioate has a molecular weight of 328.53 g/mol, XLogP of 4.18, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(E)-5-methyl-6-trimethylsilylhex-4-enyl]propanedioate is sourced from PubChem (CID 12986894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).