diethyl (4E)-3-hydroxy-3-phenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate

C21H30O5Si — CID 102193466

IUPACdiethyl (4E)-3-hydroxy-3-phenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C/C(=C\[Si](C)(C)C)C(O)(c2ccccc2)C1
InChIInChI=1S/C21H30O5Si/c1-6-25-18(22)20(19(23)26-7-2)13-17(14-27(3,4)5)21(24,15-20)16-11-9-8-10-12-16/h8-12,14,24H,6-7,13,15H2,1-5H3/b17-14+
InChIKeyPWCOGNYAPYOMJD-SAPNQHFASA-N
MW390.55 g/mol
LogP3.58
Rot. Bonds6

About diethyl (4E)-3-hydroxy-3-phenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate

diethyl (4E)-3-hydroxy-3-phenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 102193466) has the molecular formula C21H30O5Si and a molecular weight of 390.55 g/mol. Its IUPAC name is diethyl (4E)-3-hydroxy-3-phenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl (4E)-3-hydroxy-3-phenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
PubChem CID102193466
Molecular FormulaC21H30O5Si
Molecular Weight390.55 g/mol
Exact Mass390.19
IUPAC Namediethyl (4E)-3-hydroxy-3-phenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C/C(=C\[Si](C)(C)C)C(O)(c2ccccc2)C1
InChIInChI=1S/C21H30O5Si/c1-6-25-18(22)20(19(23)26-7-2)13-17(14-27(3,4)5)21(24,15-20)16-11-9-8-10-12-16/h8-12,14,24H,6-7,13,15H2,1-5H3/b17-14+
InChIKeyPWCOGNYAPYOMJD-SAPNQHFASA-N
XLogP3.58
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

cis-diethyl (3R,4R)-4-ethenyl-3-hydroxy-3-phenylcyclopentane-1,1-dicarboxylate
CID 177406220
trans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate
CID 132516898
cis-diethyl (3R,4R)-3-hydroxy-3-phenyl-4-prop-1-en-2-ylcyclopentane-1,1-dicarboxylate
CID 177406977
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
ethyl 3-phenyl-1,4-dihydroisochromene-3-carboxylate
CID 102046505
diethyl 3-benzoyl-3-methyl-4-methylidenecyclopentane-1,1-dicarboxylate
CID 102133731
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
CID 154105831
ethyl (4aS,7aR)-7a-hydroxy-3,3-diphenyl-4,5,6,7-tetrahydrocyclopenta[c][1,2]dioxine-4a-carboxylate
CID 10067601
diethyl 3-phenyl-4,6-dihydrocyclopenta[d][1,2]oxazole-5,5-dicarboxylate
CID 10735115
diethyl 5-benzylidene-1,3-dihydropentalene-2,2-dicarboxylate
CID 10871472
ethyl 5-hydroxy-5-phenyl-4H-1,2-oxazole-3-carboxylate
CID 131845862
cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate
CID 101464653

Frequently Asked Questions

What is the IUPAC name of diethyl (4E)-3-hydroxy-3-phenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of diethyl (4E)-3-hydroxy-3-phenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (CID 102193466) is diethyl (4E)-3-hydroxy-3-phenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for diethyl (4E)-3-hydroxy-3-phenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for diethyl (4E)-3-hydroxy-3-phenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)C/C(=C\[Si](C)(C)C)C(O)(c2ccccc2)C1.
What is the InChIKey of diethyl (4E)-3-hydroxy-3-phenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is PWCOGNYAPYOMJD-SAPNQHFASA-N. The full InChI is InChI=1S/C21H30O5Si/c1-6-25-18(22)20(19(23)26-7-2)13-17(14-27(3,4)5)21(24,15-20)16-11-9-8-10-12-16/h8-12,14,24H,6-7,13,15H2,1-5H3/b17-14+.
What are the key properties of diethyl (4E)-3-hydroxy-3-phenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
diethyl (4E)-3-hydroxy-3-phenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 390.55 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4E)-3-hydroxy-3-phenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 102193466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).