4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid

C10H18O4Si — CID 176528894

IUPAC4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid
SMILESCCO[Si](C)(C=C=C(C)C(=O)O)OCC
InChIInChI=1S/C10H18O4Si/c1-5-13-15(4,14-6-2)8-7-9(3)10(11)12/h8H,5-6H2,1-4H3,(H,11,12)
InChIKeyHURPJRLSBQHYTJ-UHFFFAOYSA-N
MW230.34 g/mol
LogP1.86
Rot. Bonds6

About 4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid

4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid (PubChem CID 176528894) has the molecular formula C10H18O4Si and a molecular weight of 230.34 g/mol. Its IUPAC name is 4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid.

Molecular Properties

Compound Name4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid
PubChem CID176528894
Molecular FormulaC10H18O4Si
Molecular Weight230.34 g/mol
Exact Mass230.10
IUPAC Name4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid
SMILESCCO[Si](C)(C=C=C(C)C(=O)O)OCC
InChIInChI=1S/C10H18O4Si/c1-5-13-15(4,14-6-2)8-7-9(3)10(11)12/h8H,5-6H2,1-4H3,(H,11,12)
InChIKeyHURPJRLSBQHYTJ-UHFFFAOYSA-N
XLogP1.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid 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

(E)-2-methyl-3-triethoxysilylprop-2-enoic acid
CID 19437271
diethoxy(dimethyl)silane;prop-2-enoic acid
CID 87574269
[ethoxy(dihydroxy)silyl] acetate
CID 138401647
2-methylpenta-2,3-dienoic acid;phosphoric acid
CID 176527100
2-methylprop-2-enoic acid;triethoxy(propyl)silane
CID 87573070
[diacetyloxy(ethoxy)silyl] acetate
CID 12025413
acetic acid;triethoxymethanamine
CID 175078602
1-triethoxysilylpropan-2-one
CID 174838810
4-(dimethoxymethylsilyl)-2-methylbuta-2,3-dienoic acid
CID 176528897
CID 87594616
CID 87594616
5-hydroxy-2-methyl-6-prop-2-enoyloxyhexa-2,3-dienoic acid
CID 118897143
7,9-dihydroxy-2-methylnona-2,3,7-trienoic acid
CID 176528706

Frequently Asked Questions

What is the IUPAC name of 4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid?
The IUPAC name of 4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid (CID 176528894) is 4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid.
What is the SMILES notation for 4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid?
The canonical SMILES for 4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid is CCO[Si](C)(C=C=C(C)C(=O)O)OCC.
What is the InChIKey of 4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid?
The InChIKey is HURPJRLSBQHYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4Si/c1-5-13-15(4,14-6-2)8-7-9(3)10(11)12/h8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid?
4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid has a molecular weight of 230.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diethoxy(methyl)silyl]-2-methylbuta-2,3-dienoic acid is sourced from PubChem (CID 176528894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).