4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid

C18H44O8Si5 — CID 102394248

IUPAC4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid
SMILESC[Si](C)(CCCC(=O)O)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC(=O)O
InChIInChI=1S/C18H44O8Si5/c1-27(2,15-11-13-17(19)20)23-29(5,6)25-31(9,10)26-30(7,8)24-28(3,4)16-12-14-18(21)22/h11-16H2,1-10H3,(H,19,20)(H,21,22)
InChIKeyROUDUZSNBOAVPO-UHFFFAOYSA-N
MW528.97 g/mol
LogP5.30
Rot. Bonds16

About 4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid

4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid (PubChem CID 102394248) has the molecular formula C18H44O8Si5 and a molecular weight of 528.97 g/mol. Its IUPAC name is 4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid.

Molecular Properties

Compound Name4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid
PubChem CID102394248
Molecular FormulaC18H44O8Si5
Molecular Weight528.97 g/mol
Exact Mass528.19
IUPAC Name4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid
SMILESC[Si](C)(CCCC(=O)O)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC(=O)O
InChIInChI=1S/C18H44O8Si5/c1-27(2,15-11-13-17(19)20)23-29(5,6)25-31(9,10)26-30(7,8)24-28(3,4)16-12-14-18(21)22/h11-16H2,1-10H3,(H,19,20)(H,21,22)
InChIKeyROUDUZSNBOAVPO-UHFFFAOYSA-N
XLogP5.30
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.97
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

11-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid
CID 102202619
3-[[[[[[3-hydroxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-ol
CID 90989800
4-[[(4-methoxycarbonylphenyl)-dimethylsilyl]oxy-dimethylsilyl]butanoic acid
CID 140798982
4-[3-[[3-(3-carboxypropanoylamino)propyl-dimethylsilyl]oxy-dimethylsilyl]propylamino]-4-oxobutanoic acid
CID 170942066
N-[3-[[[3-acetamidopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]acetamide
CID 153418128
3-[[[[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine
CID 18354066
methyl 2-[3-[[[[[[[[[[[[3-[(2-methoxy-2-oxoacetyl)amino]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propylamino]-2-oxoacetate
CID 175696771
CID 136677687
CID 136677687
11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid
CID 58363243
5-[dimethyl(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid
CID 87359143
6-[bis[[5-carboxypentyl(dimethyl)silyl]oxysilyl]methylsilyloxy-dimethylsilyl]hexanoic acid
CID 159489769
2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate
CID 155790031

Frequently Asked Questions

What is the IUPAC name of 4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid?
The IUPAC name of 4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid (CID 102394248) is 4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid.
What is the SMILES notation for 4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid?
The canonical SMILES for 4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid is C[Si](C)(CCCC(=O)O)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC(=O)O.
What is the InChIKey of 4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid?
The InChIKey is ROUDUZSNBOAVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H44O8Si5/c1-27(2,15-11-13-17(19)20)23-29(5,6)25-31(9,10)26-30(7,8)24-28(3,4)16-12-14-18(21)22/h11-16H2,1-10H3,(H,19,20)(H,21,22).
What are the key properties of 4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid?
4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid has a molecular weight of 528.97 g/mol, XLogP of 5.30, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid is sourced from PubChem (CID 102394248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).