dimethyl (4E)-4-(1-trimethylsilylethylidene)spiro[4.5]decane-2,2-dicarboxylate

C19H32O4Si — CID 10066621

IUPACdimethyl (4E)-4-(1-trimethylsilylethylidene)spiro[4.5]decane-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C/C(=C(/C)[Si](C)(C)C)C2(CCCCC2)C1
InChIInChI=1S/C19H32O4Si/c1-14(24(4,5)6)15-12-19(16(20)22-2,17(21)23-3)13-18(15)10-8-7-9-11-18/h7-13H2,1-6H3/b15-14+
InChIKeyFPEHMLZIEXTNNX-CCEZHUSRSA-N
MW352.55 g/mol
LogP4.26
Rot. Bonds3

About dimethyl (4E)-4-(1-trimethylsilylethylidene)spiro[4.5]decane-2,2-dicarboxylate

dimethyl (4E)-4-(1-trimethylsilylethylidene)spiro[4.5]decane-2,2-dicarboxylate (PubChem CID 10066621) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is dimethyl (4E)-4-(1-trimethylsilylethylidene)spiro[4.5]decane-2,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (4E)-4-(1-trimethylsilylethylidene)spiro[4.5]decane-2,2-dicarboxylate
PubChem CID10066621
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Namedimethyl (4E)-4-(1-trimethylsilylethylidene)spiro[4.5]decane-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C/C(=C(/C)[Si](C)(C)C)C2(CCCCC2)C1
InChIInChI=1S/C19H32O4Si/c1-14(24(4,5)6)15-12-19(16(20)22-2,17(21)23-3)13-18(15)10-8-7-9-11-18/h7-13H2,1-6H3/b15-14+
InChIKeyFPEHMLZIEXTNNX-CCEZHUSRSA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.26
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

Diethyl 6-[tert-butyl(dimethyl)silyl]-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
CID 9999842
dimethyl 4-methyl-8-trimethylsilyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 10735625
Dimethyl 3-methyl-4-(1-triethylsilylethylidene)cyclopentane-1,1-dicarboxylate
CID 72771884
dimethyl (4E)-3-prop-1-en-2-yl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101546111
Dimethyl 4-propan-2-ylidenespiro[4.5]decane-2,2-dicarboxylate
CID 134980377
dimethyl 6-propan-2-ylidene-1-[(Z)-2-trimethylsilylethenyl]bicyclo[3.1.0]hexane-3,3-dicarboxylate
CID 135012927
Dimethyl 2-hexyl-3-[2-tri(propan-2-yl)silylethynyl]cycloprop-2-ene-1,1-dicarboxylate
CID 177855591
dimethyl (4Z)-4-(1-bromoethylidene)spiro[4.5]decane-2,2-dicarboxylate
CID 10043983
dimethyl (4Z)-4-ethylidenespiro[4.5]decane-2,2-dicarboxylate
CID 10062213
dimethyl (4E)-3-(2-methyl-4-trimethylsilylpent-4-en-2-yl)-4-(tributylstannylmethylidene)cyclopentane-1,1-dicarboxylate
CID 10699334
Dimethyl 4-[tert-butyl(dimethyl)silyl]-5-oxo-1,3,4,6-tetrahydropentalene-2,2-dicarboxylate
CID 10915170
Dimethyl 3-[tert-butyl(dimethyl)silyl]oxy-2,4,5,6,7,7a-hexahydroindene-1,1-dicarboxylate
CID 11079125

Frequently Asked Questions

What is the IUPAC name of dimethyl (4E)-4-(1-trimethylsilylethylidene)spiro[4.5]decane-2,2-dicarboxylate?
The IUPAC name of dimethyl (4E)-4-(1-trimethylsilylethylidene)spiro[4.5]decane-2,2-dicarboxylate (CID 10066621) is dimethyl (4E)-4-(1-trimethylsilylethylidene)spiro[4.5]decane-2,2-dicarboxylate.
What is the SMILES notation for dimethyl (4E)-4-(1-trimethylsilylethylidene)spiro[4.5]decane-2,2-dicarboxylate?
The canonical SMILES for dimethyl (4E)-4-(1-trimethylsilylethylidene)spiro[4.5]decane-2,2-dicarboxylate is COC(=O)C1(C(=O)OC)C/C(=C(/C)[Si](C)(C)C)C2(CCCCC2)C1.
What is the InChIKey of dimethyl (4E)-4-(1-trimethylsilylethylidene)spiro[4.5]decane-2,2-dicarboxylate?
The InChIKey is FPEHMLZIEXTNNX-CCEZHUSRSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-14(24(4,5)6)15-12-19(16(20)22-2,17(21)23-3)13-18(15)10-8-7-9-11-18/h7-13H2,1-6H3/b15-14+.
What are the key properties of dimethyl (4E)-4-(1-trimethylsilylethylidene)spiro[4.5]decane-2,2-dicarboxylate?
dimethyl (4E)-4-(1-trimethylsilylethylidene)spiro[4.5]decane-2,2-dicarboxylate has a molecular weight of 352.55 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (4E)-4-(1-trimethylsilylethylidene)spiro[4.5]decane-2,2-dicarboxylate is sourced from PubChem (CID 10066621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).