dimethyl (3E,4E)-3-(triethylsilylmethylidene)-4-(2-triethylsilyloxypropylidene)cyclopentane-1,1-dicarboxylate

C25H46O5Si2 — CID 102573015

IUPACdimethyl (3E,4E)-3-(triethylsilylmethylidene)-4-(2-triethylsilyloxypropylidene)cyclopentane-1,1-dicarboxylate
SMILESCC[Si](/C=C1\CC(C(=O)OC)(C(=O)OC)C\C1=C/C(C)O[Si](CC)(CC)CC)(CC)CC
InChIInChI=1S/C25H46O5Si2/c1-10-31(11-2,12-3)19-22-18-25(23(26)28-8,24(27)29-9)17-21(22)16-20(7)30-32(13-4,14-5)15-6/h16,19-20H,10-15,17-18H2,1-9H3/b21-16+,22-19+
InChIKeyVPOAECVWFZUNDQ-CVEPNYRCSA-N
MW482.81 g/mol
LogP6.42
Rot. Bonds12

About dimethyl (3E,4E)-3-(triethylsilylmethylidene)-4-(2-triethylsilyloxypropylidene)cyclopentane-1,1-dicarboxylate

dimethyl (3E,4E)-3-(triethylsilylmethylidene)-4-(2-triethylsilyloxypropylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 102573015) has the molecular formula C25H46O5Si2 and a molecular weight of 482.81 g/mol. Its IUPAC name is dimethyl (3E,4E)-3-(triethylsilylmethylidene)-4-(2-triethylsilyloxypropylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3E,4E)-3-(triethylsilylmethylidene)-4-(2-triethylsilyloxypropylidene)cyclopentane-1,1-dicarboxylate
PubChem CID102573015
Molecular FormulaC25H46O5Si2
Molecular Weight482.81 g/mol
Exact Mass482.29
IUPAC Namedimethyl (3E,4E)-3-(triethylsilylmethylidene)-4-(2-triethylsilyloxypropylidene)cyclopentane-1,1-dicarboxylate
SMILESCC[Si](/C=C1\CC(C(=O)OC)(C(=O)OC)C\C1=C/C(C)O[Si](CC)(CC)CC)(CC)CC
InChIInChI=1S/C25H46O5Si2/c1-10-31(11-2,12-3)19-22-18-25(23(26)28-8,24(27)29-9)17-21(22)16-20(7)30-32(13-4,14-5)15-6/h16,19-20H,10-15,17-18H2,1-9H3/b21-16+,22-19+
InChIKeyVPOAECVWFZUNDQ-CVEPNYRCSA-N
XLogP6.42
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.81
LogP ≤ 56.42
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'}

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Related Compounds

dimethyl (3E,4E)-3-ethylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 14911452
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 (3aS,6R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-1,3,3a,6-tetrahydroindene-2,2-dicarboxylate
CID 134900202
dimethyl (3E,4Z)-3-(2-methoxy-2-oxoethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11036349
dimethyl (3E)-3-[1-[tert-butyl(dimethyl)silyl]-2-cyclopropylidenebut-3-enylidene]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11350190
dimethyl (3Z,4E)-3-(triethylsilylmethylidene)-4-(2-triethylsilyloxypropylidene)cyclopentane-1,1-dicarboxylate
CID 11730567
ethyl (E,3R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2,4-trimethyldodec-4-enoate
CID 10554180
ethyl (E,3R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,4-trimethyl-3-trimethylsilyloxydodec-4-enoate
CID 10601002
diethyl (3E,4R)-3-[(5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-[(E)-prop-1-enyl]cyclopentylidene]-4-ethenylcyclopentane-1,1-dicarboxylate
CID 10863724
CID 10895357
CID 10895357
dimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 10895358
dimethyl (3E,4Z)-3-ethylidene-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
CID 11291134

Frequently Asked Questions

What is the IUPAC name of dimethyl (3E,4E)-3-(triethylsilylmethylidene)-4-(2-triethylsilyloxypropylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3E,4E)-3-(triethylsilylmethylidene)-4-(2-triethylsilyloxypropylidene)cyclopentane-1,1-dicarboxylate (CID 102573015) is dimethyl (3E,4E)-3-(triethylsilylmethylidene)-4-(2-triethylsilyloxypropylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3E,4E)-3-(triethylsilylmethylidene)-4-(2-triethylsilyloxypropylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3E,4E)-3-(triethylsilylmethylidene)-4-(2-triethylsilyloxypropylidene)cyclopentane-1,1-dicarboxylate is CC[Si](/C=C1\CC(C(=O)OC)(C(=O)OC)C\C1=C/C(C)O[Si](CC)(CC)CC)(CC)CC.
What is the InChIKey of dimethyl (3E,4E)-3-(triethylsilylmethylidene)-4-(2-triethylsilyloxypropylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is VPOAECVWFZUNDQ-CVEPNYRCSA-N. The full InChI is InChI=1S/C25H46O5Si2/c1-10-31(11-2,12-3)19-22-18-25(23(26)28-8,24(27)29-9)17-21(22)16-20(7)30-32(13-4,14-5)15-6/h16,19-20H,10-15,17-18H2,1-9H3/b21-16+,22-19+.
What are the key properties of dimethyl (3E,4E)-3-(triethylsilylmethylidene)-4-(2-triethylsilyloxypropylidene)cyclopentane-1,1-dicarboxylate?
dimethyl (3E,4E)-3-(triethylsilylmethylidene)-4-(2-triethylsilyloxypropylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 482.81 g/mol, XLogP of 6.42, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3E,4E)-3-(triethylsilylmethylidene)-4-(2-triethylsilyloxypropylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 102573015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).