3-[dimethylsilyloxy(dimethyl)silyl]-2-ethyl-4,4-dimethylpent-2-enoic acid

C13H28O3Si2 — CID 123813884

IUPAC3-[dimethylsilyloxy(dimethyl)silyl]-2-ethyl-4,4-dimethylpent-2-enoic acid
SMILESCCC(C(=O)O)=C(C(C)(C)C)[Si](C)(C)O[SiH](C)C
InChIInChI=1S/C13H28O3Si2/c1-9-10(12(14)15)11(13(2,3)4)18(7,8)16-17(5)6/h17H,9H2,1-8H3,(H,14,15)
InChIKeyALVWAWYZODMDKQ-UHFFFAOYSA-N
MW288.54 g/mol
LogP3.57
Rot. Bonds5

About 3-[dimethylsilyloxy(dimethyl)silyl]-2-ethyl-4,4-dimethylpent-2-enoic acid

3-[dimethylsilyloxy(dimethyl)silyl]-2-ethyl-4,4-dimethylpent-2-enoic acid (PubChem CID 123813884) has the molecular formula C13H28O3Si2 and a molecular weight of 288.54 g/mol. Its IUPAC name is 3-[dimethylsilyloxy(dimethyl)silyl]-2-ethyl-4,4-dimethylpent-2-enoic acid.

Molecular Properties

Compound Name3-[dimethylsilyloxy(dimethyl)silyl]-2-ethyl-4,4-dimethylpent-2-enoic acid
PubChem CID123813884
Molecular FormulaC13H28O3Si2
Molecular Weight288.54 g/mol
Exact Mass288.16
IUPAC Name3-[dimethylsilyloxy(dimethyl)silyl]-2-ethyl-4,4-dimethylpent-2-enoic acid
SMILESCCC(C(=O)O)=C(C(C)(C)C)[Si](C)(C)O[SiH](C)C
InChIInChI=1S/C13H28O3Si2/c1-9-10(12(14)15)11(13(2,3)4)18(7,8)16-17(5)6/h17H,9H2,1-8H3,(H,14,15)
InChIKeyALVWAWYZODMDKQ-UHFFFAOYSA-N
XLogP3.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.54
LogP ≤ 53.57
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'}

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Related Compounds

1-[dimethylsilyloxy(dimethyl)silyl]propan-1-one
CID 173203767
2-dimethylsilyloxy-3-ethyl-4,4-dimethylpent-2-enoic acid
CID 173316800
2-tert-butylperoxy-3-ethylbut-2-enedioic acid
CID 54159207
2-ethyl-3-(2,2,2-trifluoroacetyl)but-2-enedioic acid
CID 154081278
(E)-3-chlorooxycarbonyl-2-ethylpent-2-enoic acid
CID 88612694
3-chloro-2-ethylpent-2-enoic acid
CID 139927928
2-(dicyanomethylidene)butanoic acid
CID 129021812
(Z)-2-ethyl-3-hydroxyhex-2-enoic acid
CID 173169828
2-(2,2-dimethylpropyl)-3-hydroxy-4,4-dimethylpent-2-enoic acid
CID 171749300
(E)-2-ethyl-3-(1-hydroxyethyl)but-2-enedioic acid
CID 87892946
4-bromo-2-ethyl-3-methylbut-2-enoic acid
CID 71436552
2-ethyl-3-(oxiran-2-ylmethyl)but-2-enedioic acid
CID 54102741

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylsilyloxy(dimethyl)silyl]-2-ethyl-4,4-dimethylpent-2-enoic acid?
The IUPAC name of 3-[dimethylsilyloxy(dimethyl)silyl]-2-ethyl-4,4-dimethylpent-2-enoic acid (CID 123813884) is 3-[dimethylsilyloxy(dimethyl)silyl]-2-ethyl-4,4-dimethylpent-2-enoic acid.
What is the SMILES notation for 3-[dimethylsilyloxy(dimethyl)silyl]-2-ethyl-4,4-dimethylpent-2-enoic acid?
The canonical SMILES for 3-[dimethylsilyloxy(dimethyl)silyl]-2-ethyl-4,4-dimethylpent-2-enoic acid is CCC(C(=O)O)=C(C(C)(C)C)[Si](C)(C)O[SiH](C)C.
What is the InChIKey of 3-[dimethylsilyloxy(dimethyl)silyl]-2-ethyl-4,4-dimethylpent-2-enoic acid?
The InChIKey is ALVWAWYZODMDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si2/c1-9-10(12(14)15)11(13(2,3)4)18(7,8)16-17(5)6/h17H,9H2,1-8H3,(H,14,15).
What are the key properties of 3-[dimethylsilyloxy(dimethyl)silyl]-2-ethyl-4,4-dimethylpent-2-enoic acid?
3-[dimethylsilyloxy(dimethyl)silyl]-2-ethyl-4,4-dimethylpent-2-enoic acid has a molecular weight of 288.54 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylsilyloxy(dimethyl)silyl]-2-ethyl-4,4-dimethylpent-2-enoic acid is sourced from PubChem (CID 123813884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).