diethyl 2-[4-(2-methylidene-1-trimethylsilylcyclopropyl)butyl]propanedioate

C18H32O4Si — CID 14940683

IUPACdiethyl 2-[4-(2-methylidene-1-trimethylsilylcyclopropyl)butyl]propanedioate
SMILESC=C1CC1(CCCCC(C(=O)OCC)C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C18H32O4Si/c1-7-21-16(19)15(17(20)22-8-2)11-9-10-12-18(13-14(18)3)23(4,5)6/h15H,3,7-13H2,1-2,4-6H3
InChIKeyUFKBNKIZMUBZQM-UHFFFAOYSA-N
MW340.54 g/mol
LogP4.33
Rot. Bonds10

About diethyl 2-[4-(2-methylidene-1-trimethylsilylcyclopropyl)butyl]propanedioate

diethyl 2-[4-(2-methylidene-1-trimethylsilylcyclopropyl)butyl]propanedioate (PubChem CID 14940683) has the molecular formula C18H32O4Si and a molecular weight of 340.54 g/mol. Its IUPAC name is diethyl 2-[4-(2-methylidene-1-trimethylsilylcyclopropyl)butyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[4-(2-methylidene-1-trimethylsilylcyclopropyl)butyl]propanedioate
PubChem CID14940683
Molecular FormulaC18H32O4Si
Molecular Weight340.54 g/mol
Exact Mass340.21
IUPAC Namediethyl 2-[4-(2-methylidene-1-trimethylsilylcyclopropyl)butyl]propanedioate
SMILESC=C1CC1(CCCCC(C(=O)OCC)C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C18H32O4Si/c1-7-21-16(19)15(17(20)22-8-2)11-9-10-12-18(13-14(18)3)23(4,5)6/h15H,3,7-13H2,1-2,4-6H3
InChIKeyUFKBNKIZMUBZQM-UHFFFAOYSA-N
XLogP4.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.54
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[4-(2-methylidene-1-trimethylsilylcyclopropyl)butyl]propanedioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[4-(2-methylidene-1-trimethylsilylcyclopropyl)butyl]propanedioate?
The IUPAC name of diethyl 2-[4-(2-methylidene-1-trimethylsilylcyclopropyl)butyl]propanedioate (CID 14940683) is diethyl 2-[4-(2-methylidene-1-trimethylsilylcyclopropyl)butyl]propanedioate.
What is the SMILES notation for diethyl 2-[4-(2-methylidene-1-trimethylsilylcyclopropyl)butyl]propanedioate?
The canonical SMILES for diethyl 2-[4-(2-methylidene-1-trimethylsilylcyclopropyl)butyl]propanedioate is C=C1CC1(CCCCC(C(=O)OCC)C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of diethyl 2-[4-(2-methylidene-1-trimethylsilylcyclopropyl)butyl]propanedioate?
The InChIKey is UFKBNKIZMUBZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4Si/c1-7-21-16(19)15(17(20)22-8-2)11-9-10-12-18(13-14(18)3)23(4,5)6/h15H,3,7-13H2,1-2,4-6H3.
What are the key properties of diethyl 2-[4-(2-methylidene-1-trimethylsilylcyclopropyl)butyl]propanedioate?
diethyl 2-[4-(2-methylidene-1-trimethylsilylcyclopropyl)butyl]propanedioate has a molecular weight of 340.54 g/mol, XLogP of 4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[4-(2-methylidene-1-trimethylsilylcyclopropyl)butyl]propanedioate is sourced from PubChem (CID 14940683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).