dimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate

C15H26O4Si — CID 102262881

IUPACdimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate
SMILESCCC(=C=C[Si](C)(C)C)CC(C)(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H26O4Si/c1-8-12(9-10-20(5,6)7)11-15(2,13(16)18-3)14(17)19-4/h10H,8,11H2,1-7H3
InChIKeyYQMSHWRYLCPDEE-UHFFFAOYSA-N
MW298.46 g/mol
LogP3.10
Rot. Bonds6

About dimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate

dimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate (PubChem CID 102262881) has the molecular formula C15H26O4Si and a molecular weight of 298.46 g/mol. Its IUPAC name is dimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate.

Molecular Properties

Compound Namedimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate
PubChem CID102262881
Molecular FormulaC15H26O4Si
Molecular Weight298.46 g/mol
Exact Mass298.16
IUPAC Namedimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate
SMILESCCC(=C=C[Si](C)(C)C)CC(C)(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H26O4Si/c1-8-12(9-10-20(5,6)7)11-15(2,13(16)18-3)14(17)19-4/h10H,8,11H2,1-7H3
InChIKeyYQMSHWRYLCPDEE-UHFFFAOYSA-N
XLogP3.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.10
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
Dimethyl 3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 85378686
dimethyl (2E)-2-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 102051620
Dimethyl 2-methyl-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate
CID 102262887
dimethyl (4E)-3-methylidene-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 102377343
Dimethyl 3-methylidene-4-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 135069171
dimethyl (3Z,4Z)-3-[[tert-butyl(dimethyl)silyl]methylidene]-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
CID 164686402
2-trimethylsilylethyl (2S)-2-carbonofluoridoyl-2-(methoxymethyl)-5,6-dimethylhept-5-enoate
CID 11348567
dimethyl (4Z)-3-methylidene-4-[tri(propan-2-yl)silylmethylidene]cyclopentane-1,1-dicarboxylate
CID 10915542
dimethyl (4E)-3-methylidene-4-(triethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 11045578

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate?
The IUPAC name of dimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate (CID 102262881) is dimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate.
What is the SMILES notation for dimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate?
The canonical SMILES for dimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate is CCC(=C=C[Si](C)(C)C)CC(C)(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate?
The InChIKey is YQMSHWRYLCPDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-8-12(9-10-20(5,6)7)11-15(2,13(16)18-3)14(17)19-4/h10H,8,11H2,1-7H3.
What are the key properties of dimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate?
dimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate has a molecular weight of 298.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2-ethyl-4-trimethylsilylbuta-2,3-dienyl)-2-methylpropanedioate is sourced from PubChem (CID 102262881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).