dimethyl (3E)-3-[1-[tert-butyl(dimethyl)silyl]-2-cyclopropylidenebut-3-enylidene]-4-methylidenecyclopentane-1,1-dicarboxylate

C23H34O4Si — CID 11350190

IUPACdimethyl (3E)-3-[1-[tert-butyl(dimethyl)silyl]-2-cyclopropylidenebut-3-enylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=CC(=C1CC1)/C(=C1/CC(C(=O)OC)(C(=O)OC)CC1=C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H34O4Si/c1-10-17(16-11-12-16)19(28(8,9)22(3,4)5)18-14-23(13-15(18)2,20(24)26-6)21(25)27-7/h10H,1-2,11-14H2,3-9H3/b19-18+
InChIKeyUABDEWGYXWVDJF-VHEBQXMUSA-N
MW402.61 g/mol
LogP5.29
Rot. Bonds5

About dimethyl (3E)-3-[1-[tert-butyl(dimethyl)silyl]-2-cyclopropylidenebut-3-enylidene]-4-methylidenecyclopentane-1,1-dicarboxylate

dimethyl (3E)-3-[1-[tert-butyl(dimethyl)silyl]-2-cyclopropylidenebut-3-enylidene]-4-methylidenecyclopentane-1,1-dicarboxylate (PubChem CID 11350190) has the molecular formula C23H34O4Si and a molecular weight of 402.61 g/mol. Its IUPAC name is dimethyl (3E)-3-[1-[tert-butyl(dimethyl)silyl]-2-cyclopropylidenebut-3-enylidene]-4-methylidenecyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3E)-3-[1-[tert-butyl(dimethyl)silyl]-2-cyclopropylidenebut-3-enylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
PubChem CID11350190
Molecular FormulaC23H34O4Si
Molecular Weight402.61 g/mol
Exact Mass402.22
IUPAC Namedimethyl (3E)-3-[1-[tert-butyl(dimethyl)silyl]-2-cyclopropylidenebut-3-enylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=CC(=C1CC1)/C(=C1/CC(C(=O)OC)(C(=O)OC)CC1=C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H34O4Si/c1-10-17(16-11-12-16)19(28(8,9)22(3,4)5)18-14-23(13-15(18)2,20(24)26-6)21(25)27-7/h10H,1-2,11-14H2,3-9H3/b19-18+
InChIKeyUABDEWGYXWVDJF-VHEBQXMUSA-N
XLogP5.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.61
LogP ≤ 55.29
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

dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11786432
dimethyl (4Z)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101130864
dimethyl (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 164686401
dimethyl (3aS,7R)-8-methyl-7-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 11416432
dimethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 13809214
dimethyl (3E,4E)-3-ethylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 14911452
diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate
CID 14931221
Diethyl 3-ethenyl-4-(trimethylsilylmethyl)cyclopent-3-ene-1,1-dicarboxylate
CID 14931223
dimethyl (3E,4E)-3-[5-tri(propan-2-yl)silylpent-1-en-4-yn-3-ylidene]-4-[3-tri(propan-2-yl)silylprop-2-ynylidene]cyclopentane-1,1-dicarboxylate
CID 60167377
Dimethyl 3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 85378686
dimethyl (5E)-4-[(E)-hept-1-enyl]-5-(trimethylsilylmethylidene)cyclohex-3-ene-1,1-dicarboxylate
CID 101219663
dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101256704

Frequently Asked Questions

What is the IUPAC name of dimethyl (3E)-3-[1-[tert-butyl(dimethyl)silyl]-2-cyclopropylidenebut-3-enylidene]-4-methylidenecyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3E)-3-[1-[tert-butyl(dimethyl)silyl]-2-cyclopropylidenebut-3-enylidene]-4-methylidenecyclopentane-1,1-dicarboxylate (CID 11350190) is dimethyl (3E)-3-[1-[tert-butyl(dimethyl)silyl]-2-cyclopropylidenebut-3-enylidene]-4-methylidenecyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3E)-3-[1-[tert-butyl(dimethyl)silyl]-2-cyclopropylidenebut-3-enylidene]-4-methylidenecyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3E)-3-[1-[tert-butyl(dimethyl)silyl]-2-cyclopropylidenebut-3-enylidene]-4-methylidenecyclopentane-1,1-dicarboxylate is C=CC(=C1CC1)/C(=C1/CC(C(=O)OC)(C(=O)OC)CC1=C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of dimethyl (3E)-3-[1-[tert-butyl(dimethyl)silyl]-2-cyclopropylidenebut-3-enylidene]-4-methylidenecyclopentane-1,1-dicarboxylate?
The InChIKey is UABDEWGYXWVDJF-VHEBQXMUSA-N. The full InChI is InChI=1S/C23H34O4Si/c1-10-17(16-11-12-16)19(28(8,9)22(3,4)5)18-14-23(13-15(18)2,20(24)26-6)21(25)27-7/h10H,1-2,11-14H2,3-9H3/b19-18+.
What are the key properties of dimethyl (3E)-3-[1-[tert-butyl(dimethyl)silyl]-2-cyclopropylidenebut-3-enylidene]-4-methylidenecyclopentane-1,1-dicarboxylate?
dimethyl (3E)-3-[1-[tert-butyl(dimethyl)silyl]-2-cyclopropylidenebut-3-enylidene]-4-methylidenecyclopentane-1,1-dicarboxylate has a molecular weight of 402.61 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3E)-3-[1-[tert-butyl(dimethyl)silyl]-2-cyclopropylidenebut-3-enylidene]-4-methylidenecyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 11350190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).