trimethyl 3-trimethylsilylbut-3-ene-1,1,1-tricarboxylate

C13H22O6Si — CID 10851905

IUPACtrimethyl 3-trimethylsilylbut-3-ene-1,1,1-tricarboxylate
SMILESC=C(CC(C(=O)OC)(C(=O)OC)C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C13H22O6Si/c1-9(20(5,6)7)8-13(10(14)17-2,11(15)18-3)12(16)19-4/h1,8H2,2-7H3
InChIKeyHNJOCLBFOMWRJD-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.32
Rot. Bonds6

About trimethyl 3-trimethylsilylbut-3-ene-1,1,1-tricarboxylate

trimethyl 3-trimethylsilylbut-3-ene-1,1,1-tricarboxylate (PubChem CID 10851905) has the molecular formula C13H22O6Si and a molecular weight of 302.40 g/mol. Its IUPAC name is trimethyl 3-trimethylsilylbut-3-ene-1,1,1-tricarboxylate.

Molecular Properties

Compound Nametrimethyl 3-trimethylsilylbut-3-ene-1,1,1-tricarboxylate
PubChem CID10851905
Molecular FormulaC13H22O6Si
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Nametrimethyl 3-trimethylsilylbut-3-ene-1,1,1-tricarboxylate
SMILESC=C(CC(C(=O)OC)(C(=O)OC)C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C13H22O6Si/c1-9(20(5,6)7)8-13(10(14)17-2,11(15)18-3)12(16)19-4/h1,8H2,2-7H3
InChIKeyHNJOCLBFOMWRJD-UHFFFAOYSA-N
XLogP1.32
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trimethyl 3-trimethylsilylbut-3-ene-1,1,1-tricarboxylate 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 trimethyl 3-trimethylsilylbut-3-ene-1,1,1-tricarboxylate?
The IUPAC name of trimethyl 3-trimethylsilylbut-3-ene-1,1,1-tricarboxylate (CID 10851905) is trimethyl 3-trimethylsilylbut-3-ene-1,1,1-tricarboxylate.
What is the SMILES notation for trimethyl 3-trimethylsilylbut-3-ene-1,1,1-tricarboxylate?
The canonical SMILES for trimethyl 3-trimethylsilylbut-3-ene-1,1,1-tricarboxylate is C=C(CC(C(=O)OC)(C(=O)OC)C(=O)OC)[Si](C)(C)C.
What is the InChIKey of trimethyl 3-trimethylsilylbut-3-ene-1,1,1-tricarboxylate?
The InChIKey is HNJOCLBFOMWRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O6Si/c1-9(20(5,6)7)8-13(10(14)17-2,11(15)18-3)12(16)19-4/h1,8H2,2-7H3.
What are the key properties of trimethyl 3-trimethylsilylbut-3-ene-1,1,1-tricarboxylate?
trimethyl 3-trimethylsilylbut-3-ene-1,1,1-tricarboxylate has a molecular weight of 302.40 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl 3-trimethylsilylbut-3-ene-1,1,1-tricarboxylate is sourced from PubChem (CID 10851905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).