diethyl 2-[2-(2-methylidene-1-trimethylsilylcyclopropyl)ethyl]propanedioate

C16H28O4Si — CID 14940681

IUPACdiethyl 2-[2-(2-methylidene-1-trimethylsilylcyclopropyl)ethyl]propanedioate
SMILESC=C1CC1(CCC(C(=O)OCC)C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C16H28O4Si/c1-7-19-14(17)13(15(18)20-8-2)9-10-16(11-12(16)3)21(4,5)6/h13H,3,7-11H2,1-2,4-6H3
InChIKeySQJASSPEZOYKRV-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.55
Rot. Bonds8

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

diethyl 2-[2-(2-methylidene-1-trimethylsilylcyclopropyl)ethyl]propanedioate (PubChem CID 14940681) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is diethyl 2-[2-(2-methylidene-1-trimethylsilylcyclopropyl)ethyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[2-(2-methylidene-1-trimethylsilylcyclopropyl)ethyl]propanedioate
PubChem CID14940681
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Namediethyl 2-[2-(2-methylidene-1-trimethylsilylcyclopropyl)ethyl]propanedioate
SMILESC=C1CC1(CCC(C(=O)OCC)C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C16H28O4Si/c1-7-19-14(17)13(15(18)20-8-2)9-10-16(11-12(16)3)21(4,5)6/h13H,3,7-11H2,1-2,4-6H3
InChIKeySQJASSPEZOYKRV-UHFFFAOYSA-N
XLogP3.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.55
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'}

Analyze diethyl 2-[2-(2-methylidene-1-trimethylsilylcyclopropyl)ethyl]propanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl 2-(4-methylpent-4-enyl)propanedioate
CID 15529233
diethyl 2-[(3E)-3-(trimethylsilylmethylidene)nonan-2-yl]propanedioate
CID 10992304
dimethyl (4E)-3-prop-1-en-2-yl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 101546111
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
Hbwkieodwxdzgp-uhfffaoysa-
CID 21729622
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 2-(4-methyl-2-methylidenepent-4-enyl)propanedioate
CID 141375745
Diethyl 2-(4-methyl-2-methylidenepentyl)propanedioate
CID 174724547
trans-ethyl (1R,2R)-2-[(Z)-1-[tert-butyl(dimethyl)silyl]hex-1-en-2-yl]cyclopropane-1-carboxylate
CID 10804932

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[2-(2-methylidene-1-trimethylsilylcyclopropyl)ethyl]propanedioate?
The IUPAC name of diethyl 2-[2-(2-methylidene-1-trimethylsilylcyclopropyl)ethyl]propanedioate (CID 14940681) is diethyl 2-[2-(2-methylidene-1-trimethylsilylcyclopropyl)ethyl]propanedioate.
What is the SMILES notation for diethyl 2-[2-(2-methylidene-1-trimethylsilylcyclopropyl)ethyl]propanedioate?
The canonical SMILES for diethyl 2-[2-(2-methylidene-1-trimethylsilylcyclopropyl)ethyl]propanedioate is C=C1CC1(CCC(C(=O)OCC)C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of diethyl 2-[2-(2-methylidene-1-trimethylsilylcyclopropyl)ethyl]propanedioate?
The InChIKey is SQJASSPEZOYKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-7-19-14(17)13(15(18)20-8-2)9-10-16(11-12(16)3)21(4,5)6/h13H,3,7-11H2,1-2,4-6H3.
What are the key properties of diethyl 2-[2-(2-methylidene-1-trimethylsilylcyclopropyl)ethyl]propanedioate?
diethyl 2-[2-(2-methylidene-1-trimethylsilylcyclopropyl)ethyl]propanedioate has a molecular weight of 312.48 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[2-(2-methylidene-1-trimethylsilylcyclopropyl)ethyl]propanedioate is sourced from PubChem (CID 14940681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).