diethyl 2-[3-(2-methylidene-1-trimethylsilylcyclopropyl)propyl]propanedioate

C17H30O4Si — CID 14940682

IUPACdiethyl 2-[3-(2-methylidene-1-trimethylsilylcyclopropyl)propyl]propanedioate
SMILESC=C1CC1(CCCC(C(=O)OCC)C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C17H30O4Si/c1-7-20-15(18)14(16(19)21-8-2)10-9-11-17(12-13(17)3)22(4,5)6/h14H,3,7-12H2,1-2,4-6H3
InChIKeyFQKUGLMBFSJRJM-UHFFFAOYSA-N
MW326.51 g/mol
LogP3.94
Rot. Bonds9

About diethyl 2-[3-(2-methylidene-1-trimethylsilylcyclopropyl)propyl]propanedioate

diethyl 2-[3-(2-methylidene-1-trimethylsilylcyclopropyl)propyl]propanedioate (PubChem CID 14940682) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is diethyl 2-[3-(2-methylidene-1-trimethylsilylcyclopropyl)propyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[3-(2-methylidene-1-trimethylsilylcyclopropyl)propyl]propanedioate
PubChem CID14940682
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Namediethyl 2-[3-(2-methylidene-1-trimethylsilylcyclopropyl)propyl]propanedioate
SMILESC=C1CC1(CCCC(C(=O)OCC)C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C17H30O4Si/c1-7-20-15(18)14(16(19)21-8-2)10-9-11-17(12-13(17)3)22(4,5)6/h14H,3,7-12H2,1-2,4-6H3
InChIKeyFQKUGLMBFSJRJM-UHFFFAOYSA-N
XLogP3.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.94
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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Related Compounds

Diethyl 2-(4-methylpent-4-enyl)propanedioate
CID 15529233
diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate
CID 10992304
dimethyl 2-[(E)-1-trimethylsilyloct-1-en-3-yl]propanedioate
CID 134900427
ethyl (1R,2R,3R)-2-(2-methylprop-2-enyl)-3-[4-tri(propan-2-yl)silyloxybutyl]cyclopropane-1-carboxylate
CID 138979451
triethyl (E)-6-trimethylsilylhex-5-ene-1,1,5-tricarboxylate
CID 10317194
Diethyl 2-(4-methylidenehexyl)propanedioate
CID 102030884
Tetraethyl 3-methylidenepentane-1,1,5,5-tetracarboxylate
CID 14297118
Diethyl 2-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylideneheptyl]propanedioate
CID 19904720
Diethyl 2-(4-methylideneoctyl)propanedioate
CID 21321190
Diethyl 4-methyleneheptanedicarboxylate
CID 86634462
Diethyl 2-(4-methyl-2-methylidenepent-4-enyl)propanedioate
CID 141375745
Diethyl 2-(2-methylidenedodecyl)propanedioate
CID 174668805

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[3-(2-methylidene-1-trimethylsilylcyclopropyl)propyl]propanedioate?
The IUPAC name of diethyl 2-[3-(2-methylidene-1-trimethylsilylcyclopropyl)propyl]propanedioate (CID 14940682) is diethyl 2-[3-(2-methylidene-1-trimethylsilylcyclopropyl)propyl]propanedioate.
What is the SMILES notation for diethyl 2-[3-(2-methylidene-1-trimethylsilylcyclopropyl)propyl]propanedioate?
The canonical SMILES for diethyl 2-[3-(2-methylidene-1-trimethylsilylcyclopropyl)propyl]propanedioate is C=C1CC1(CCCC(C(=O)OCC)C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of diethyl 2-[3-(2-methylidene-1-trimethylsilylcyclopropyl)propyl]propanedioate?
The InChIKey is FQKUGLMBFSJRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-7-20-15(18)14(16(19)21-8-2)10-9-11-17(12-13(17)3)22(4,5)6/h14H,3,7-12H2,1-2,4-6H3.
What are the key properties of diethyl 2-[3-(2-methylidene-1-trimethylsilylcyclopropyl)propyl]propanedioate?
diethyl 2-[3-(2-methylidene-1-trimethylsilylcyclopropyl)propyl]propanedioate has a molecular weight of 326.51 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[3-(2-methylidene-1-trimethylsilylcyclopropyl)propyl]propanedioate is sourced from PubChem (CID 14940682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).