dimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate

C16H26O4Si — CID 10895358

IUPACdimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCC/C=C1\CC(C(=O)OC)(C(=O)OC)C\C1=C/[Si](C)(C)C
InChIInChI=1S/C16H26O4Si/c1-7-8-12-9-16(14(17)19-2,15(18)20-3)10-13(12)11-21(4,5)6/h8,11H,7,9-10H2,1-6H3/b12-8+,13-11+
InChIKeyALUUEQQNGRHUOD-UHSWXSRBSA-N
MW310.47 g/mol
LogP3.25
Rot. Bonds4

About dimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate

dimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 10895358) has the molecular formula C16H26O4Si and a molecular weight of 310.47 g/mol. Its IUPAC name is dimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
PubChem CID10895358
Molecular FormulaC16H26O4Si
Molecular Weight310.47 g/mol
Exact Mass310.16
IUPAC Namedimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCC/C=C1\CC(C(=O)OC)(C(=O)OC)C\C1=C/[Si](C)(C)C
InChIInChI=1S/C16H26O4Si/c1-7-8-12-9-16(14(17)19-2,15(18)20-3)10-13(12)11-21(4,5)6/h8,11H,7,9-10H2,1-6H3/b12-8+,13-11+
InChIKeyALUUEQQNGRHUOD-UHSWXSRBSA-N
XLogP3.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.25
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 3-prop-1-en-2-ylcyclopent-3-ene-1,1-dicarboxylate
CID 11184313
diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 10890391
diethyl (3E)-3-hexylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11023252
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
diethyl (4Z)-3-methylidene-4-propylidenecyclopentane-1,1-dicarboxylate
CID 11219328
Dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate
CID 11416203
dimethyl (3aS,7R)-8-methyl-7-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 11416432
Dimethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate
CID 11715653
dimethyl (3E)-3-(cyclohexylmethylidene)-4-methylidenecyclopentane-1,1-dicarboxylate
CID 13444357
dimethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 13809214

Frequently Asked Questions

What is the IUPAC name of dimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (CID 10895358) is dimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is CC/C=C1\CC(C(=O)OC)(C(=O)OC)C\C1=C/[Si](C)(C)C.
What is the InChIKey of dimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is ALUUEQQNGRHUOD-UHSWXSRBSA-N. The full InChI is InChI=1S/C16H26O4Si/c1-7-8-12-9-16(14(17)19-2,15(18)20-3)10-13(12)11-21(4,5)6/h8,11H,7,9-10H2,1-6H3/b12-8+,13-11+.
What are the key properties of dimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
dimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 310.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3E,4E)-3-propylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 10895358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).