4-[[(4-methoxycarbonylphenyl)-dimethylsilyl]oxy-dimethylsilyl]butanoic acid

C16H26O5Si2 — CID 140798982

IUPAC4-[[(4-methoxycarbonylphenyl)-dimethylsilyl]oxy-dimethylsilyl]butanoic acid
SMILESCOC(=O)c1ccc([Si](C)(C)O[Si](C)(C)CCCC(=O)O)cc1
InChIInChI=1S/C16H26O5Si2/c1-20-16(19)13-8-10-14(11-9-13)23(4,5)21-22(2,3)12-6-7-15(17)18/h8-11H,6-7,12H2,1-5H3,(H,17,18)
InChIKeyWOOGOQRNWVJYJE-UHFFFAOYSA-N
MW354.55 g/mol
LogP2.97
Rot. Bonds8

About 4-[[(4-methoxycarbonylphenyl)-dimethylsilyl]oxy-dimethylsilyl]butanoic acid

4-[[(4-methoxycarbonylphenyl)-dimethylsilyl]oxy-dimethylsilyl]butanoic acid (PubChem CID 140798982) has the molecular formula C16H26O5Si2 and a molecular weight of 354.55 g/mol. Its IUPAC name is 4-[[(4-methoxycarbonylphenyl)-dimethylsilyl]oxy-dimethylsilyl]butanoic acid.

Molecular Properties

Compound Name4-[[(4-methoxycarbonylphenyl)-dimethylsilyl]oxy-dimethylsilyl]butanoic acid
PubChem CID140798982
Molecular FormulaC16H26O5Si2
Molecular Weight354.55 g/mol
Exact Mass354.13
IUPAC Name4-[[(4-methoxycarbonylphenyl)-dimethylsilyl]oxy-dimethylsilyl]butanoic acid
SMILESCOC(=O)c1ccc([Si](C)(C)O[Si](C)(C)CCCC(=O)O)cc1
InChIInChI=1S/C16H26O5Si2/c1-20-16(19)13-8-10-14(11-9-13)23(4,5)21-22(2,3)12-6-7-15(17)18/h8-11H,6-7,12H2,1-5H3,(H,17,18)
InChIKeyWOOGOQRNWVJYJE-UHFFFAOYSA-N
XLogP2.97
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.55
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methoxycarbonylphenyl)methylamino]butanoic acid
CID 60782858
6-[(4-methoxycarbonylphenyl)methylamino]hexanoic acid
CID 82364295
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
2-(4-methoxycarbonylphenyl)acetic acid
CID 10797879
methyl 4-triethoxysilylbenzoate
CID 12006361
4-[5-[(4-methoxycarbonylphenyl)methylamino]-1,3,4-oxadiazol-2-yl]butanoic acid
CID 110456611
4-(2-chloro-5-methoxycarbonylphenyl)butanoic acid
CID 167695064
dimethyl benzene-1,4-dicarboxylate;methanol;terephthalic acid
CID 159205173
CID 67391169
CID 67391169
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol;terephthalic acid
CID 174780069
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxycarbonylphenyl)-dimethylsilyl]oxy-dimethylsilyl]butanoic acid?
The IUPAC name of 4-[[(4-methoxycarbonylphenyl)-dimethylsilyl]oxy-dimethylsilyl]butanoic acid (CID 140798982) is 4-[[(4-methoxycarbonylphenyl)-dimethylsilyl]oxy-dimethylsilyl]butanoic acid.
What is the SMILES notation for 4-[[(4-methoxycarbonylphenyl)-dimethylsilyl]oxy-dimethylsilyl]butanoic acid?
The canonical SMILES for 4-[[(4-methoxycarbonylphenyl)-dimethylsilyl]oxy-dimethylsilyl]butanoic acid is COC(=O)c1ccc([Si](C)(C)O[Si](C)(C)CCCC(=O)O)cc1.
What is the InChIKey of 4-[[(4-methoxycarbonylphenyl)-dimethylsilyl]oxy-dimethylsilyl]butanoic acid?
The InChIKey is WOOGOQRNWVJYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5Si2/c1-20-16(19)13-8-10-14(11-9-13)23(4,5)21-22(2,3)12-6-7-15(17)18/h8-11H,6-7,12H2,1-5H3,(H,17,18).
What are the key properties of 4-[[(4-methoxycarbonylphenyl)-dimethylsilyl]oxy-dimethylsilyl]butanoic acid?
4-[[(4-methoxycarbonylphenyl)-dimethylsilyl]oxy-dimethylsilyl]butanoic acid has a molecular weight of 354.55 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxycarbonylphenyl)-dimethylsilyl]oxy-dimethylsilyl]butanoic acid is sourced from PubChem (CID 140798982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).