3-[dimethyl(trimethylsilyl)silyl]oxy-2-methylidenebutanoic acid

C10H22O3Si2 — CID 90331859

IUPAC3-[dimethyl(trimethylsilyl)silyl]oxy-2-methylidenebutanoic acid
SMILESC=C(C(=O)O)C(C)O[Si](C)(C)[Si](C)(C)C
InChIInChI=1S/C10H22O3Si2/c1-8(10(11)12)9(2)13-15(6,7)14(3,4)5/h9H,1H2,2-7H3,(H,11,12)
InChIKeyPPLGMNLESQZWEZ-UHFFFAOYSA-N
MW246.45 g/mol
LogP2.65
Rot. Bonds5

About 3-[dimethyl(trimethylsilyl)silyl]oxy-2-methylidenebutanoic acid

3-[dimethyl(trimethylsilyl)silyl]oxy-2-methylidenebutanoic acid (PubChem CID 90331859) has the molecular formula C10H22O3Si2 and a molecular weight of 246.45 g/mol. Its IUPAC name is 3-[dimethyl(trimethylsilyl)silyl]oxy-2-methylidenebutanoic acid.

Molecular Properties

Compound Name3-[dimethyl(trimethylsilyl)silyl]oxy-2-methylidenebutanoic acid
PubChem CID90331859
Molecular FormulaC10H22O3Si2
Molecular Weight246.45 g/mol
Exact Mass246.11
IUPAC Name3-[dimethyl(trimethylsilyl)silyl]oxy-2-methylidenebutanoic acid
SMILESC=C(C(=O)O)C(C)O[Si](C)(C)[Si](C)(C)C
InChIInChI=1S/C10H22O3Si2/c1-8(10(11)12)9(2)13-15(6,7)14(3,4)5/h9H,1H2,2-7H3,(H,11,12)
InChIKeyPPLGMNLESQZWEZ-UHFFFAOYSA-N
XLogP2.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[dimethyl(trimethylsilyl)silyl]oxy-2-methylidenebutanoic acid 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 3-[dimethyl(trimethylsilyl)silyl]oxy-2-methylidenebutanoic acid?
The IUPAC name of 3-[dimethyl(trimethylsilyl)silyl]oxy-2-methylidenebutanoic acid (CID 90331859) is 3-[dimethyl(trimethylsilyl)silyl]oxy-2-methylidenebutanoic acid.
What is the SMILES notation for 3-[dimethyl(trimethylsilyl)silyl]oxy-2-methylidenebutanoic acid?
The canonical SMILES for 3-[dimethyl(trimethylsilyl)silyl]oxy-2-methylidenebutanoic acid is C=C(C(=O)O)C(C)O[Si](C)(C)[Si](C)(C)C.
What is the InChIKey of 3-[dimethyl(trimethylsilyl)silyl]oxy-2-methylidenebutanoic acid?
The InChIKey is PPLGMNLESQZWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si2/c1-8(10(11)12)9(2)13-15(6,7)14(3,4)5/h9H,1H2,2-7H3,(H,11,12).
What are the key properties of 3-[dimethyl(trimethylsilyl)silyl]oxy-2-methylidenebutanoic acid?
3-[dimethyl(trimethylsilyl)silyl]oxy-2-methylidenebutanoic acid has a molecular weight of 246.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(trimethylsilyl)silyl]oxy-2-methylidenebutanoic acid is sourced from PubChem (CID 90331859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).