(Z)-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobut-2-enoic acid

C18H36O6Si2 — CID 58113134

IUPAC(Z)-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobut-2-enoic acid
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)/C=C(/C)\C(=O)O
InChIInChI=1S/C18H36O6Si2/c1-7-8-13-25(3,4)24-26(5,6)14-9-10-22-11-12-23-17(19)15-16(2)18(20)21/h15H,7-14H2,1-6H3,(H,20,21)/b16-15-
InChIKeyGYFOUVIPPSLCIW-NXVVXOECSA-N
MW404.60 g/mol
LogP—
Rot. Bonds15

About (Z)-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobut-2-enoic acid

(Z)-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobut-2-enoic acid (PubChem CID 58113134) has the molecular formula C18H36O6Si2 and a molecular weight of 404.60 g/mol. Its IUPAC name is (Z)-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobut-2-enoic acid
PubChem CID58113134
Molecular FormulaC18H36O6Si2
Molecular Weight404.60 g/mol
Exact Mass404.21
IUPAC Name(Z)-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobut-2-enoic acid
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)/C=C(/C)\C(=O)O
InChIInChI=1S/C18H36O6Si2/c1-7-8-13-25(3,4)24-26(5,6)14-9-10-22-11-12-23-17(19)15-16(2)18(20)21/h15H,7-14H2,1-6H3,(H,20,21)/b16-15-
InChIKeyGYFOUVIPPSLCIW-NXVVXOECSA-N
XLogP—
TPSA82.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity474

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobut-2-enoic acid (CID 58113134) is (Z)-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobut-2-enoic acid is CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)/C=C(/C)\C(=O)O.
What is the InChIKey of (Z)-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobut-2-enoic acid?
The InChIKey is GYFOUVIPPSLCIW-NXVVXOECSA-N. The full InChI is InChI=1S/C18H36O6Si2/c1-7-8-13-25(3,4)24-26(5,6)14-9-10-22-11-12-23-17(19)15-16(2)18(20)21/h15H,7-14H2,1-6H3,(H,20,21)/b16-15-.
What are the key properties of (Z)-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobut-2-enoic acid?
(Z)-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobut-2-enoic acid has a molecular weight of 404.60 g/mol, XLogP of not available, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-4-oxobut-2-enoic acid is sourced from PubChem (CID 58113134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).