diethyl (3Z)-3-[1-[benzyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate

C23H34O4Si — CID 102074245

IUPACdiethyl (3Z)-3-[1-[benzyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C/C(=C(\C)[Si](C)(C)Cc2ccccc2)C(C)C1
InChIInChI=1S/C23H34O4Si/c1-7-26-21(24)23(22(25)27-8-2)14-17(3)20(15-23)18(4)28(5,6)16-19-12-10-9-11-13-19/h9-13,17H,7-8,14-16H2,1-6H3/b20-18-
InChIKeyAFMYAYZIQGPYMS-ZZEZOPTASA-N
MW402.61 g/mol
LogP4.87
Rot. Bonds7

About diethyl (3Z)-3-[1-[benzyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate

diethyl (3Z)-3-[1-[benzyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate (PubChem CID 102074245) has the molecular formula C23H34O4Si and a molecular weight of 402.61 g/mol. Its IUPAC name is diethyl (3Z)-3-[1-[benzyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl (3Z)-3-[1-[benzyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate
PubChem CID102074245
Molecular FormulaC23H34O4Si
Molecular Weight402.61 g/mol
Exact Mass402.22
IUPAC Namediethyl (3Z)-3-[1-[benzyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C/C(=C(\C)[Si](C)(C)Cc2ccccc2)C(C)C1
InChIInChI=1S/C23H34O4Si/c1-7-26-21(24)23(22(25)27-8-2)14-17(3)20(15-23)18(4)28(5,6)16-19-12-10-9-11-13-19/h9-13,17H,7-8,14-16H2,1-6H3/b20-18-
InChIKeyAFMYAYZIQGPYMS-ZZEZOPTASA-N
XLogP4.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.61
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl (3E)-3-benzylidene-4-methylcyclopentane-1,1-dicarboxylate
CID 134941037
cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate
CID 101464653
ethyl 2-(benzylcarbamoyl)oxirane-2-carboxylate
CID 54049560
diethyl (3aR,5R)-5-methyl-6-oxo-7-phenyl-3,3a,4,5-tetrahydro-1H-indene-2,2-dicarboxylate
CID 100975633
ethyl 1-acetyl-3-(benzylamino)cyclopentane-1-carboxylate
CID 72761340
diethyl 3-phenylmethoxycyclopentane-1,1-dicarboxylate
CID 18970180
trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
diethyl 3-oxo-4-[(3E)-2-oxo-3-phenylmethoxyiminopropyl]cyclopentane-1,1-dicarboxylate
CID 177443094
hexaethyl tetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene-3,3,11,11,19,19-hexacarboxylate
CID 15782308
trans-ethyl (3S,5S)-1-acetyl-3,5-dibenzoyl-4-phenylcyclohexane-1-carboxylate
CID 40929952
1-O,1-O'-diethyl 3-O-methyl (4E)-4-[(2-methylphenyl)methylidene]cyclopentane-1,1,3-tricarboxylate
CID 102074250
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318

Frequently Asked Questions

What is the IUPAC name of diethyl (3Z)-3-[1-[benzyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate?
The IUPAC name of diethyl (3Z)-3-[1-[benzyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate (CID 102074245) is diethyl (3Z)-3-[1-[benzyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate.
What is the SMILES notation for diethyl (3Z)-3-[1-[benzyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate?
The canonical SMILES for diethyl (3Z)-3-[1-[benzyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)C/C(=C(\C)[Si](C)(C)Cc2ccccc2)C(C)C1.
What is the InChIKey of diethyl (3Z)-3-[1-[benzyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate?
The InChIKey is AFMYAYZIQGPYMS-ZZEZOPTASA-N. The full InChI is InChI=1S/C23H34O4Si/c1-7-26-21(24)23(22(25)27-8-2)14-17(3)20(15-23)18(4)28(5,6)16-19-12-10-9-11-13-19/h9-13,17H,7-8,14-16H2,1-6H3/b20-18-.
What are the key properties of diethyl (3Z)-3-[1-[benzyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate?
diethyl (3Z)-3-[1-[benzyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate has a molecular weight of 402.61 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (3Z)-3-[1-[benzyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 102074245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).