dimethyl (3Z)-3-[1-bromo-3-[tert-butyl(dimethyl)silyl]oxypropylidene]-4-ethenylcyclopentane-1,1-dicarboxylate

C20H33BrO5Si — CID 134962740

IUPACdimethyl (3Z)-3-[1-bromo-3-[tert-butyl(dimethyl)silyl]oxypropylidene]-4-ethenylcyclopentane-1,1-dicarboxylate
SMILESC=CC1CC(C(=O)OC)(C(=O)OC)C/C1=C(/Br)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H33BrO5Si/c1-9-14-12-20(17(22)24-5,18(23)25-6)13-15(14)16(21)10-11-26-27(7,8)19(2,3)4/h9,14H,1,10-13H2,2-8H3/b16-15-
InChIKeyZTSKQHGDJOWOFV-NXVVXOECSA-N
MW461.47 g/mol
LogP4.98
Rot. Bonds7

About dimethyl (3Z)-3-[1-bromo-3-[tert-butyl(dimethyl)silyl]oxypropylidene]-4-ethenylcyclopentane-1,1-dicarboxylate

dimethyl (3Z)-3-[1-bromo-3-[tert-butyl(dimethyl)silyl]oxypropylidene]-4-ethenylcyclopentane-1,1-dicarboxylate (PubChem CID 134962740) has the molecular formula C20H33BrO5Si and a molecular weight of 461.47 g/mol. Its IUPAC name is dimethyl (3Z)-3-[1-bromo-3-[tert-butyl(dimethyl)silyl]oxypropylidene]-4-ethenylcyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3Z)-3-[1-bromo-3-[tert-butyl(dimethyl)silyl]oxypropylidene]-4-ethenylcyclopentane-1,1-dicarboxylate
PubChem CID134962740
Molecular FormulaC20H33BrO5Si
Molecular Weight461.47 g/mol
Exact Mass460.13
IUPAC Namedimethyl (3Z)-3-[1-bromo-3-[tert-butyl(dimethyl)silyl]oxypropylidene]-4-ethenylcyclopentane-1,1-dicarboxylate
SMILESC=CC1CC(C(=O)OC)(C(=O)OC)C/C1=C(/Br)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H33BrO5Si/c1-9-14-12-20(17(22)24-5,18(23)25-6)13-15(14)16(21)10-11-26-27(7,8)19(2,3)4/h9,14H,1,10-13H2,2-8H3/b16-15-
InChIKeyZTSKQHGDJOWOFV-NXVVXOECSA-N
XLogP4.98
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (3aS,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-methyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 11361835
dimethyl (3aS,7R)-8-methyl-7-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 11416432
Diethyl 2-(2-bromo-3-methylbut-2-enyl)-2-(4-triethylsilyloxycyclohex-3-en-1-yl)propanedioate
CID 24906053
dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101256704
dimethyl (3aS,7R)-7-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 101350508
dimethyl (3aS,6R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1,3,3a,6-tetrahydroindene-2,2-dicarboxylate
CID 134900202
diethyl (3aR)-8-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 135061608
diethyl (3aS)-8-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 135062700
diethyl (4Z)-3-ethenyl-4-(3-trimethylsilylprop-2-ynylidene)cyclopentane-1,1-dicarboxylate
CID 11759844
diethyl 2-[(E)-4-bromobut-2-enyl]-2-(2-bromoprop-2-enyl)propanedioate;diethyl 3-ethenyl-4-methylidenecyclopentane-1,1-dicarboxylate
CID 159871931
dimethyl (3aR,6S)-8-methyl-6-[tri(propan-2-yl)silyloxymethyl]-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 10928473
diethyl 3-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-4-[(Z)-prop-1-enyl]cyclopentane-1,1-dicarboxylate
CID 11742319

Frequently Asked Questions

What is the IUPAC name of dimethyl (3Z)-3-[1-bromo-3-[tert-butyl(dimethyl)silyl]oxypropylidene]-4-ethenylcyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3Z)-3-[1-bromo-3-[tert-butyl(dimethyl)silyl]oxypropylidene]-4-ethenylcyclopentane-1,1-dicarboxylate (CID 134962740) is dimethyl (3Z)-3-[1-bromo-3-[tert-butyl(dimethyl)silyl]oxypropylidene]-4-ethenylcyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3Z)-3-[1-bromo-3-[tert-butyl(dimethyl)silyl]oxypropylidene]-4-ethenylcyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3Z)-3-[1-bromo-3-[tert-butyl(dimethyl)silyl]oxypropylidene]-4-ethenylcyclopentane-1,1-dicarboxylate is C=CC1CC(C(=O)OC)(C(=O)OC)C/C1=C(/Br)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of dimethyl (3Z)-3-[1-bromo-3-[tert-butyl(dimethyl)silyl]oxypropylidene]-4-ethenylcyclopentane-1,1-dicarboxylate?
The InChIKey is ZTSKQHGDJOWOFV-NXVVXOECSA-N. The full InChI is InChI=1S/C20H33BrO5Si/c1-9-14-12-20(17(22)24-5,18(23)25-6)13-15(14)16(21)10-11-26-27(7,8)19(2,3)4/h9,14H,1,10-13H2,2-8H3/b16-15-.
What are the key properties of dimethyl (3Z)-3-[1-bromo-3-[tert-butyl(dimethyl)silyl]oxypropylidene]-4-ethenylcyclopentane-1,1-dicarboxylate?
dimethyl (3Z)-3-[1-bromo-3-[tert-butyl(dimethyl)silyl]oxypropylidene]-4-ethenylcyclopentane-1,1-dicarboxylate has a molecular weight of 461.47 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3Z)-3-[1-bromo-3-[tert-butyl(dimethyl)silyl]oxypropylidene]-4-ethenylcyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 134962740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).