dimethyl 2-[(Z)-but-2-enyl]-2-(3-triethylsilylpropyl)propanedioate

C18H34O4Si — CID 10854818

IUPACdimethyl 2-[(Z)-but-2-enyl]-2-(3-triethylsilylpropyl)propanedioate
SMILESC/C=C\CC(CCC[Si](CC)(CC)CC)(C(=O)OC)C(=O)OC
InChIInChI=1S/C18H34O4Si/c1-7-11-13-18(16(19)21-5,17(20)22-6)14-12-15-23(8-2,9-3)10-4/h7,11H,8-10,12-15H2,1-6H3/b11-7-
InChIKeyIZQDCNLMMBROEB-XFFZJAGNSA-N
MW342.55 g/mol
LogP4.57
Rot. Bonds11

About dimethyl 2-[(Z)-but-2-enyl]-2-(3-triethylsilylpropyl)propanedioate

dimethyl 2-[(Z)-but-2-enyl]-2-(3-triethylsilylpropyl)propanedioate (PubChem CID 10854818) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is dimethyl 2-[(Z)-but-2-enyl]-2-(3-triethylsilylpropyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(Z)-but-2-enyl]-2-(3-triethylsilylpropyl)propanedioate
PubChem CID10854818
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Namedimethyl 2-[(Z)-but-2-enyl]-2-(3-triethylsilylpropyl)propanedioate
SMILESC/C=C\CC(CCC[Si](CC)(CC)CC)(C(=O)OC)C(=O)OC
InChIInChI=1S/C18H34O4Si/c1-7-11-13-18(16(19)21-5,17(20)22-6)14-12-15-23(8-2,9-3)10-4/h7,11H,8-10,12-15H2,1-6H3/b11-7-
InChIKeyIZQDCNLMMBROEB-XFFZJAGNSA-N
XLogP4.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.57
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 dimethyl 2-[(Z)-but-2-enyl]-2-(3-triethylsilylpropyl)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 dimethyl 2-[(Z)-but-2-enyl]-2-(3-triethylsilylpropyl)propanedioate?
The IUPAC name of dimethyl 2-[(Z)-but-2-enyl]-2-(3-triethylsilylpropyl)propanedioate (CID 10854818) is dimethyl 2-[(Z)-but-2-enyl]-2-(3-triethylsilylpropyl)propanedioate.
What is the SMILES notation for dimethyl 2-[(Z)-but-2-enyl]-2-(3-triethylsilylpropyl)propanedioate?
The canonical SMILES for dimethyl 2-[(Z)-but-2-enyl]-2-(3-triethylsilylpropyl)propanedioate is C/C=C\CC(CCC[Si](CC)(CC)CC)(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[(Z)-but-2-enyl]-2-(3-triethylsilylpropyl)propanedioate?
The InChIKey is IZQDCNLMMBROEB-XFFZJAGNSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-7-11-13-18(16(19)21-5,17(20)22-6)14-12-15-23(8-2,9-3)10-4/h7,11H,8-10,12-15H2,1-6H3/b11-7-.
What are the key properties of dimethyl 2-[(Z)-but-2-enyl]-2-(3-triethylsilylpropyl)propanedioate?
dimethyl 2-[(Z)-but-2-enyl]-2-(3-triethylsilylpropyl)propanedioate has a molecular weight of 342.55 g/mol, XLogP of 4.57, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(Z)-but-2-enyl]-2-(3-triethylsilylpropyl)propanedioate is sourced from PubChem (CID 10854818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).