diethyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate

C17H30O4Si — CID 5366458

IUPACdiethyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)C1C/C(=C\[Si](C)(C)C)C(C)(C)C1C(=O)OCC
InChIInChI=1S/C17H30O4Si/c1-8-20-15(18)13-10-12(11-22(5,6)7)17(3,4)14(13)16(19)21-9-2/h11,13-14H,8-10H2,1-7H3/b12-11+
InChIKeyRCLHQUUFRXAVPL-VAWYXSNFSA-N
MW326.51 g/mol
LogP3.58
Rot. Bonds5

About diethyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate

diethyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate (PubChem CID 5366458) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is diethyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate
PubChem CID5366458
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Namediethyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)C1C/C(=C\[Si](C)(C)C)C(C)(C)C1C(=O)OCC
InChIInChI=1S/C17H30O4Si/c1-8-20-15(18)13-10-12(11-22(5,6)7)17(3,4)14(13)16(19)21-9-2/h11,13-14H,8-10H2,1-7H3/b12-11+
InChIKeyRCLHQUUFRXAVPL-VAWYXSNFSA-N
XLogP3.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate
CID 46866730
ethyl 2-[(1R,3S)-1,4,4-trimethyl-2-methylidene-3-(4-trimethylsilylbut-3-ynyl)cyclopentyl]acetate
CID 134949863
diethyl (4S,5S)-7-methylidenespiro[2.4]heptane-4,5-dicarboxylate
CID 135072015
cis-diethyl (2S,5S)-2-methyl-5-(3-trimethylsilylprop-1-en-2-yl)cyclopentane-1,1-dicarboxylate
CID 164685473
Cyclopentane-1,2-dicarboxylic acid, 4-methylene-3-trimethylsilyl-, dimethyl ester
CID 552558
Cyclopentane-trans-1,2-dicarboxylic acid, 4-methylene-3-trimethylsilyl-, diethyl ester
CID 552561
Diethyl 3-methyl-4-methylene-5-(trimethylsilyl)-1,2-cyclopentanedicarboxylate
CID 552673
Diethyl 3,3-dimethyl-4-methylene-5-(trimethylsilyl)-1,2-cyclopentanedicarboxylate
CID 552786
Cyclopentane-1R,2-trans-dicarboxylic acid, 4-isopropylidene-cis-3-trimethylsilyl-, diethyl ester
CID 552787
Diethyl 4-[(trimethylsilyl)methylene]-1,2-cyclopentanedicarboxylate
CID 554493
Cyclopentane-1,2-dicarboxylic acid, 4-(trimethylsilyl)methylene-, dimethyl ester, Z-
CID 560614
Diethyl 3-methyl-4-methylene-1,2-cyclopentanedicarboxylate
CID 564796

Frequently Asked Questions

What is the IUPAC name of diethyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate?
The IUPAC name of diethyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate (CID 5366458) is diethyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate.
What is the SMILES notation for diethyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate?
The canonical SMILES for diethyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate is CCOC(=O)C1C/C(=C\[Si](C)(C)C)C(C)(C)C1C(=O)OCC.
What is the InChIKey of diethyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate?
The InChIKey is RCLHQUUFRXAVPL-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-8-20-15(18)13-10-12(11-22(5,6)7)17(3,4)14(13)16(19)21-9-2/h11,13-14H,8-10H2,1-7H3/b12-11+.
What are the key properties of diethyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate?
diethyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate has a molecular weight of 326.51 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4E)-3,3-dimethyl-4-(trimethylsilylmethylidene)cyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 5366458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).