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

C19H32O4Si — CID 10871890

IUPACdimethyl (3E)-2,2-dimethyl-4-methylidene-3-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C(C)(C)/C1=C/[Si](CC)(CC)CC
InChIInChI=1S/C19H32O4Si/c1-9-24(10-2,11-3)13-15-14(4)12-19(16(20)22-7,17(21)23-8)18(15,5)6/h13H,4,9-12H2,1-3,5-8H3/b15-13+
InChIKeyGLLJXWOMWXIYRR-FYWRMAATSA-N
MW352.55 g/mol
LogP4.28
Rot. Bonds6

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

dimethyl (3E)-2,2-dimethyl-4-methylidene-3-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (PubChem CID 10871890) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is dimethyl (3E)-2,2-dimethyl-4-methylidene-3-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (3E)-2,2-dimethyl-4-methylidene-3-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
PubChem CID10871890
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Namedimethyl (3E)-2,2-dimethyl-4-methylidene-3-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
SMILESC=C1CC(C(=O)OC)(C(=O)OC)C(C)(C)/C1=C/[Si](CC)(CC)CC
InChIInChI=1S/C19H32O4Si/c1-9-24(10-2,11-3)13-15-14(4)12-19(16(20)22-7,17(21)23-8)18(15,5)6/h13H,4,9-12H2,1-3,5-8H3/b15-13+
InChIKeyGLLJXWOMWXIYRR-FYWRMAATSA-N
XLogP4.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.28
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 (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 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate
CID 10992304
2-O-ethyl 1-O,1-O'-dimethyl (3E)-3-(trimethylsilylmethylidene)cyclopentane-1,1,2-tricarboxylate
CID 46866730
Dimethyl 3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 85378686
dimethyl (4E)-3-prop-1-en-2-yl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101546111
dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 102051620
dimethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 102377343
dimethyl (5E)-3-methyl-4-methylidene-5-(trimethylsilylmethylidene)cyclohexane-1,1-dicarboxylate
CID 134981887
cis-diethyl (2S,5S)-2-methyl-5-(3-trimethylsilylprop-1-en-2-yl)cyclopentane-1,1-dicarboxylate
CID 164685473
dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
CID 164686402

Frequently Asked Questions

What is the IUPAC name of dimethyl (3E)-2,2-dimethyl-4-methylidene-3-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (3E)-2,2-dimethyl-4-methylidene-3-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate (CID 10871890) is dimethyl (3E)-2,2-dimethyl-4-methylidene-3-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (3E)-2,2-dimethyl-4-methylidene-3-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (3E)-2,2-dimethyl-4-methylidene-3-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is C=C1CC(C(=O)OC)(C(=O)OC)C(C)(C)/C1=C/[Si](CC)(CC)CC.
What is the InChIKey of dimethyl (3E)-2,2-dimethyl-4-methylidene-3-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
The InChIKey is GLLJXWOMWXIYRR-FYWRMAATSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-9-24(10-2,11-3)13-15-14(4)12-19(16(20)22-7,17(21)23-8)18(15,5)6/h13H,4,9-12H2,1-3,5-8H3/b15-13+.
What are the key properties of dimethyl (3E)-2,2-dimethyl-4-methylidene-3-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate?
dimethyl (3E)-2,2-dimethyl-4-methylidene-3-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate has a molecular weight of 352.55 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3E)-2,2-dimethyl-4-methylidene-3-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 10871890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).