6-[bis[[5-carboxypentyl(dimethyl)silyl]oxysilyl]methylsilyloxy-dimethylsilyl]hexanoic acid

C25H58O9Si6 — CID 159489769

IUPAC6-[bis[[5-carboxypentyl(dimethyl)silyl]oxysilyl]methylsilyloxy-dimethylsilyl]hexanoic acid
SMILESC[Si](C)(CCCCCC(=O)O)O[SiH2]C([SiH2]O[Si](C)(C)CCCCCC(=O)O)[SiH2]O[Si](C)(C)CCCCCC(=O)O
InChIInChI=1S/C25H58O9Si6/c1-38(2,19-13-7-10-16-22(26)27)32-35-25(36-33-39(3,4)20-14-8-11-17-23(28)29)37-34-40(5,6)21-15-9-12-18-24(30)31/h25H,7-21,35-37H2,1-6H3,(H,26,27)(H,28,29)(H,30,31)
InChIKeyXPWTXUJQGSDNBQ-UHFFFAOYSA-N
MW671.25 g/mol
LogP4.54
Rot. Bonds27

About 6-[bis[[5-carboxypentyl(dimethyl)silyl]oxysilyl]methylsilyloxy-dimethylsilyl]hexanoic acid

6-[bis[[5-carboxypentyl(dimethyl)silyl]oxysilyl]methylsilyloxy-dimethylsilyl]hexanoic acid (PubChem CID 159489769) has the molecular formula C25H58O9Si6 and a molecular weight of 671.25 g/mol. Its IUPAC name is 6-[bis[[5-carboxypentyl(dimethyl)silyl]oxysilyl]methylsilyloxy-dimethylsilyl]hexanoic acid.

Molecular Properties

Compound Name6-[bis[[5-carboxypentyl(dimethyl)silyl]oxysilyl]methylsilyloxy-dimethylsilyl]hexanoic acid
PubChem CID159489769
Molecular FormulaC25H58O9Si6
Molecular Weight671.25 g/mol
Exact Mass670.27
IUPAC Name6-[bis[[5-carboxypentyl(dimethyl)silyl]oxysilyl]methylsilyloxy-dimethylsilyl]hexanoic acid
SMILESC[Si](C)(CCCCCC(=O)O)O[SiH2]C([SiH2]O[Si](C)(C)CCCCCC(=O)O)[SiH2]O[Si](C)(C)CCCCCC(=O)O
InChIInChI=1S/C25H58O9Si6/c1-38(2,19-13-7-10-16-22(26)27)32-35-25(36-33-39(3,4)20-14-8-11-17-23(28)29)37-34-40(5,6)21-15-9-12-18-24(30)31/h25H,7-21,35-37H2,1-6H3,(H,26,27)(H,28,29)(H,30,31)
InChIKeyXPWTXUJQGSDNBQ-UHFFFAOYSA-N
XLogP4.54
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500671.25
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 136677687
CID 136677687
27-[chloro(dimethyl)silyl]heptacosanoic acid
CID 87685703
23-[chloro(dimethyl)silyl]tricosanoic acid
CID 87683997
methanol;tridecanedioic acid
CID 175511493
4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid
CID 102394248
11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid
CID 58363243
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765

Frequently Asked Questions

What is the IUPAC name of 6-[bis[[5-carboxypentyl(dimethyl)silyl]oxysilyl]methylsilyloxy-dimethylsilyl]hexanoic acid?
The IUPAC name of 6-[bis[[5-carboxypentyl(dimethyl)silyl]oxysilyl]methylsilyloxy-dimethylsilyl]hexanoic acid (CID 159489769) is 6-[bis[[5-carboxypentyl(dimethyl)silyl]oxysilyl]methylsilyloxy-dimethylsilyl]hexanoic acid.
What is the SMILES notation for 6-[bis[[5-carboxypentyl(dimethyl)silyl]oxysilyl]methylsilyloxy-dimethylsilyl]hexanoic acid?
The canonical SMILES for 6-[bis[[5-carboxypentyl(dimethyl)silyl]oxysilyl]methylsilyloxy-dimethylsilyl]hexanoic acid is C[Si](C)(CCCCCC(=O)O)O[SiH2]C([SiH2]O[Si](C)(C)CCCCCC(=O)O)[SiH2]O[Si](C)(C)CCCCCC(=O)O.
What is the InChIKey of 6-[bis[[5-carboxypentyl(dimethyl)silyl]oxysilyl]methylsilyloxy-dimethylsilyl]hexanoic acid?
The InChIKey is XPWTXUJQGSDNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H58O9Si6/c1-38(2,19-13-7-10-16-22(26)27)32-35-25(36-33-39(3,4)20-14-8-11-17-23(28)29)37-34-40(5,6)21-15-9-12-18-24(30)31/h25H,7-21,35-37H2,1-6H3,(H,26,27)(H,28,29)(H,30,31).
What are the key properties of 6-[bis[[5-carboxypentyl(dimethyl)silyl]oxysilyl]methylsilyloxy-dimethylsilyl]hexanoic acid?
6-[bis[[5-carboxypentyl(dimethyl)silyl]oxysilyl]methylsilyloxy-dimethylsilyl]hexanoic acid has a molecular weight of 671.25 g/mol, XLogP of 4.54, 27 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis[[5-carboxypentyl(dimethyl)silyl]oxysilyl]methylsilyloxy-dimethylsilyl]hexanoic acid is sourced from PubChem (CID 159489769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).