2-methylidene-3-tris(trimethylsilyloxy)silylbutanoic acid

C14H34O5Si4 — CID 87108441

IUPAC2-methylidene-3-tris(trimethylsilyloxy)silylbutanoic acid
SMILESC=C(C(=O)O)C(C)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H34O5Si4/c1-12(14(15)16)13(2)23(17-20(3,4)5,18-21(6,7)8)19-22(9,10)11/h13H,1H2,2-11H3,(H,15,16)
InChIKeyGAXGJYALAOFOGH-UHFFFAOYSA-N
MW394.77 g/mol
LogP4.51
Rot. Bonds9

About 2-methylidene-3-tris(trimethylsilyloxy)silylbutanoic acid

2-methylidene-3-tris(trimethylsilyloxy)silylbutanoic acid (PubChem CID 87108441) has the molecular formula C14H34O5Si4 and a molecular weight of 394.77 g/mol. Its IUPAC name is 2-methylidene-3-tris(trimethylsilyloxy)silylbutanoic acid.

Molecular Properties

Compound Name2-methylidene-3-tris(trimethylsilyloxy)silylbutanoic acid
PubChem CID87108441
Molecular FormulaC14H34O5Si4
Molecular Weight394.77 g/mol
Exact Mass394.15
IUPAC Name2-methylidene-3-tris(trimethylsilyloxy)silylbutanoic acid
SMILESC=C(C(=O)O)C(C)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H34O5Si4/c1-12(14(15)16)13(2)23(17-20(3,4)5,18-21(6,7)8)19-22(9,10)11/h13H,1H2,2-11H3,(H,15,16)
InChIKeyGAXGJYALAOFOGH-UHFFFAOYSA-N
XLogP4.51
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.77
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-hydroxy-2-methylidenebutanoic acid
CID 130723664
4-hydroxy-3-methoxy-2-methylidenepentanoic acid
CID 88919690
2-methyl-3-methylidenebutanedioic acid;zirconium
CID 87439883
cyclodecane;3-methyl-2-methylidenebutanoic acid
CID 67190499
3-methyl-2-methylidene-4-oxopentanedioic acid
CID 87224765
(3S)-3-methyl-2-methylidenepentanoic acid
CID 55303655
2-methyl-N-[1-tris(trimethylsilyloxy)silylpropyl]prop-2-enamide
CID 18769275
bis(2-methylpropane);trimethyl(trimethylsilyloxy)silane
CID 159429398
3-(1-methoxyprop-2-enoxy)-2-methylidenebutanoic acid
CID 101456713
5-[dimethyl(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid
CID 87359143
3-hydroxy-2-methylidenebutanoic acid;phosphoric acid
CID 87204534
2-trimethoxysilylpropanoic acid
CID 19100244

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-tris(trimethylsilyloxy)silylbutanoic acid?
The IUPAC name of 2-methylidene-3-tris(trimethylsilyloxy)silylbutanoic acid (CID 87108441) is 2-methylidene-3-tris(trimethylsilyloxy)silylbutanoic acid.
What is the SMILES notation for 2-methylidene-3-tris(trimethylsilyloxy)silylbutanoic acid?
The canonical SMILES for 2-methylidene-3-tris(trimethylsilyloxy)silylbutanoic acid is C=C(C(=O)O)C(C)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-methylidene-3-tris(trimethylsilyloxy)silylbutanoic acid?
The InChIKey is GAXGJYALAOFOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34O5Si4/c1-12(14(15)16)13(2)23(17-20(3,4)5,18-21(6,7)8)19-22(9,10)11/h13H,1H2,2-11H3,(H,15,16).
What are the key properties of 2-methylidene-3-tris(trimethylsilyloxy)silylbutanoic acid?
2-methylidene-3-tris(trimethylsilyloxy)silylbutanoic acid has a molecular weight of 394.77 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-tris(trimethylsilyloxy)silylbutanoic acid is sourced from PubChem (CID 87108441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).