dimethyl (4E)-3-methyl-4-(1-triethylsilylpentylidene)cyclopentane-1,1-dicarboxylate

C21H38O4Si — CID 177429239

IUPACdimethyl (4E)-3-methyl-4-(1-triethylsilylpentylidene)cyclopentane-1,1-dicarboxylate
SMILESCCCC/C(=C1/CC(C(=O)OC)(C(=O)OC)CC1C)[Si](CC)(CC)CC
InChIInChI=1S/C21H38O4Si/c1-8-12-13-18(26(9-2,10-3)11-4)17-15-21(14-16(17)5,19(22)24-6)20(23)25-7/h16H,8-15H2,1-7H3/b18-17+
InChIKeyNKTYDJCKFPRYHK-ISLYRVAYSA-N
MW382.62 g/mol
LogP5.28
Rot. Bonds9

About dimethyl (4E)-3-methyl-4-(1-triethylsilylpentylidene)cyclopentane-1,1-dicarboxylate

dimethyl (4E)-3-methyl-4-(1-triethylsilylpentylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 177429239) has the molecular formula C21H38O4Si and a molecular weight of 382.62 g/mol. Its IUPAC name is dimethyl (4E)-3-methyl-4-(1-triethylsilylpentylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4E)-3-methyl-4-(1-triethylsilylpentylidene)cyclopentane-1,1-dicarboxylate
PubChem CID177429239
Molecular FormulaC21H38O4Si
Molecular Weight382.62 g/mol
Exact Mass382.25
IUPAC Namedimethyl (4E)-3-methyl-4-(1-triethylsilylpentylidene)cyclopentane-1,1-dicarboxylate
SMILESCCCC/C(=C1/CC(C(=O)OC)(C(=O)OC)CC1C)[Si](CC)(CC)CC
InChIInChI=1S/C21H38O4Si/c1-8-12-13-18(26(9-2,10-3)11-4)17-15-21(14-16(17)5,19(22)24-6)20(23)25-7/h16H,8-15H2,1-7H3/b18-17+
InChIKeyNKTYDJCKFPRYHK-ISLYRVAYSA-N
XLogP5.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.62
LogP ≤ 55.28
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 (3Z,4Z)-3-(tributylstannylmethylidene)-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 164686401
dimethyl 4-methyl-8-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 10735625
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
dimethyl (3E,4E)-3-ethylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 14911452
Dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
CID 72771884
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 (4E)-3-prop-1-en-2-yl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101546111
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

Frequently Asked Questions

What is the IUPAC name of dimethyl (4E)-3-methyl-4-(1-triethylsilylpentylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (4E)-3-methyl-4-(1-triethylsilylpentylidene)cyclopentane-1,1-dicarboxylate (CID 177429239) is dimethyl (4E)-3-methyl-4-(1-triethylsilylpentylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (4E)-3-methyl-4-(1-triethylsilylpentylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (4E)-3-methyl-4-(1-triethylsilylpentylidene)cyclopentane-1,1-dicarboxylate is CCCC/C(=C1/CC(C(=O)OC)(C(=O)OC)CC1C)[Si](CC)(CC)CC.
What is the InChIKey of dimethyl (4E)-3-methyl-4-(1-triethylsilylpentylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is NKTYDJCKFPRYHK-ISLYRVAYSA-N. The full InChI is InChI=1S/C21H38O4Si/c1-8-12-13-18(26(9-2,10-3)11-4)17-15-21(14-16(17)5,19(22)24-6)20(23)25-7/h16H,8-15H2,1-7H3/b18-17+.
What are the key properties of dimethyl (4E)-3-methyl-4-(1-triethylsilylpentylidene)cyclopentane-1,1-dicarboxylate?
dimethyl (4E)-3-methyl-4-(1-triethylsilylpentylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 382.62 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4E)-3-methyl-4-(1-triethylsilylpentylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 177429239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).