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

C17H28O4Si — CID 101256704

IUPACdimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C/C(=C\[Si](C)(C)C)C(C=C(C)C)C1
InChIInChI=1S/C17H28O4Si/c1-12(2)8-13-9-17(15(18)20-3,16(19)21-4)10-14(13)11-22(5,6)7/h8,11,13H,9-10H2,1-7H3/b14-11+
InChIKeyGGTUQLDAUSFVQQ-SDNWHVSQSA-N
MW324.49 g/mol
LogP3.50
Rot. Bonds4

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

dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 101256704) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
PubChem CID101256704
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Namedimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C/C(=C\[Si](C)(C)C)C(C=C(C)C)C1
InChIInChI=1S/C17H28O4Si/c1-12(2)8-13-9-17(15(18)20-3,16(19)21-4)10-14(13)11-22(5,6)7/h8,11,13H,9-10H2,1-7H3/b14-11+
InChIKeyGGTUQLDAUSFVQQ-SDNWHVSQSA-N
XLogP3.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.50
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (CID 101256704) is dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)C/C(=C\[Si](C)(C)C)C(C=C(C)C)C1.
What is the InChIKey of dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is GGTUQLDAUSFVQQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H28O4Si/c1-12(2)8-13-9-17(15(18)20-3,16(19)21-4)10-14(13)11-22(5,6)7/h8,11,13H,9-10H2,1-7H3/b14-11+.
What are the key properties of dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 324.49 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4E)-3-(2-methylprop-1-enyl)-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 101256704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).