11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid

C50H132O14Si16 — CID 58363243

IUPAC11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid
SMILESC[Si](C)(C)O[Si](CC[Si](C)(C)O[Si](CCCCCCCCCCC(=O)O)(O[Si](C)(C)CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C50H132O14Si16/c1-65(2,3)53-78(54-66(4,5)6,55-67(7,8)9)47-44-74(28,29)62-77(43-41-39-37-35-34-36-38-40-42-50(51)52,63-75(30,31)45-48-79(56-68(10,11)12,57-69(13,14)15)58-70(16,17)18)64-76(32,33)46-49-80(59-71(19,20)21,60-72(22,23)24)61-73(25,26)27/h34-49H2,1-33H3,(H,51,52)
InChIKeyGQLQHRUSYRVLHI-UHFFFAOYSA-N
MW1406.97 g/mol
LogP18.67
Rot. Bonds44

About 11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid

11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid (PubChem CID 58363243) has the molecular formula C50H132O14Si16 and a molecular weight of 1406.97 g/mol. Its IUPAC name is 11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid.

Molecular Properties

Compound Name11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid
PubChem CID58363243
Molecular FormulaC50H132O14Si16
Molecular Weight1406.97 g/mol
Exact Mass1404.59
IUPAC Name11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid
SMILESC[Si](C)(C)O[Si](CC[Si](C)(C)O[Si](CCCCCCCCCCC(=O)O)(O[Si](C)(C)CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C50H132O14Si16/c1-65(2,3)53-78(54-66(4,5)6,55-67(7,8)9)47-44-74(28,29)62-77(43-41-39-37-35-34-36-38-40-42-50(51)52,63-75(30,31)45-48-79(56-68(10,11)12,57-69(13,14)15)58-70(16,17)18)64-76(32,33)46-49-80(59-71(19,20)21,60-72(22,23)24)61-73(25,26)27/h34-49H2,1-33H3,(H,51,52)
InChIKeyGQLQHRUSYRVLHI-UHFFFAOYSA-N
XLogP18.67
TPSA148.06 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds44
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001406.97
LogP ≤ 518.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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

11-[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]undecanoic acid
CID 102202619
4-[[3-but-2-enoyloxypropyl-bis(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butanoic acid
CID 173409415
2,3-bis[3-tris(trimethylsilyloxy)silylpropyl]but-2-enedioic acid
CID 54305783
30-triethoxysilyltriacontanoic acid
CID 87687022
11-triethoxysilylundecanoic acid
CID 22725829
18-triethoxysilyloctadecanoic acid
CID 87685990
3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate
CID 88568225
CID 136677687
CID 136677687
4-[[[[[3-carboxypropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]butanoic acid
CID 102394248
23-[chloro(dimethyl)silyl]tricosanoic acid
CID 87683997
27-[chloro(dimethyl)silyl]heptacosanoic acid
CID 87685703
bismuthane;dodecanedioic acid
CID 173224414

Frequently Asked Questions

What is the IUPAC name of 11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid?
The IUPAC name of 11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid (CID 58363243) is 11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid.
What is the SMILES notation for 11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid?
The canonical SMILES for 11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid is C[Si](C)(C)O[Si](CC[Si](C)(C)O[Si](CCCCCCCCCCC(=O)O)(O[Si](C)(C)CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid?
The InChIKey is GQLQHRUSYRVLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H132O14Si16/c1-65(2,3)53-78(54-66(4,5)6,55-67(7,8)9)47-44-74(28,29)62-77(43-41-39-37-35-34-36-38-40-42-50(51)52,63-75(30,31)45-48-79(56-68(10,11)12,57-69(13,14)15)58-70(16,17)18)64-76(32,33)46-49-80(59-71(19,20)21,60-72(22,23)24)61-73(25,26)27/h34-49H2,1-33H3,(H,51,52).
What are the key properties of 11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid?
11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid has a molecular weight of 1406.97 g/mol, XLogP of 18.67, 44 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylundecanoic acid is sourced from PubChem (CID 58363243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).