[11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane

C23H54O6Si3 — CID 123733042

IUPAC[11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane
SMILESCO[SiH](CCCCCC(C)(CCCCC[SiH](OC)OC)CCCCC[SiH](OC)OC)OC
InChIInChI=1S/C23H54O6Si3/c1-23(17-11-8-14-20-30(24-2)25-3,18-12-9-15-21-31(26-4)27-5)19-13-10-16-22-32(28-6)29-7/h30-32H,8-22H2,1-7H3
InChIKeyVTQGUVFSMSUDEX-UHFFFAOYSA-N
MW510.94 g/mol
LogP5.21
Rot. Bonds24

About [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane

[11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane (PubChem CID 123733042) has the molecular formula C23H54O6Si3 and a molecular weight of 510.94 g/mol. Its IUPAC name is [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane.

Molecular Properties

Compound Name[11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane
PubChem CID123733042
Molecular FormulaC23H54O6Si3
Molecular Weight510.94 g/mol
Exact Mass510.32
IUPAC Name[11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane
SMILESCO[SiH](CCCCCC(C)(CCCCC[SiH](OC)OC)CCCCC[SiH](OC)OC)OC
InChIInChI=1S/C23H54O6Si3/c1-23(17-11-8-14-20-30(24-2)25-3,18-12-9-15-21-31(26-4)27-5)19-13-10-16-22-32(28-6)29-7/h30-32H,8-22H2,1-7H3
InChIKeyVTQGUVFSMSUDEX-UHFFFAOYSA-N
XLogP5.21
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.94
LogP ≤ 55.21
H-Bond Donors ≤ 50
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

[11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-silyloxyundecyl]-dimethoxysilane
CID 123296644
tris(5-dimethoxysilylpentyl)silane
CID 123895491
heptadecyl(dimethoxy)silane
CID 173012112
dimethoxy(nonyl)silane
CID 154057580
docosyl(dimethoxy)silane
CID 150688039
hexadec-15-enyl(dimethoxy)silane
CID 172819817
dimethoxy(non-8-enyl)silane
CID 173096526
dimethoxy(pentyl)silane;methanamine
CID 175165037
4-dimethoxysilyl-N,N-dimethylbutan-1-amine
CID 150995989
13-methyl-13-octylhentriacontane
CID 173152457
11-methyl-11-nonylhenicosane
CID 19690388
6-isocyanatohexyl(dimethoxy)silane
CID 150956133

Frequently Asked Questions

What is the IUPAC name of [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane?
The IUPAC name of [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane (CID 123733042) is [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane.
What is the SMILES notation for [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane?
The canonical SMILES for [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane is CO[SiH](CCCCCC(C)(CCCCC[SiH](OC)OC)CCCCC[SiH](OC)OC)OC.
What is the InChIKey of [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane?
The InChIKey is VTQGUVFSMSUDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H54O6Si3/c1-23(17-11-8-14-20-30(24-2)25-3,18-12-9-15-21-31(26-4)27-5)19-13-10-16-22-32(28-6)29-7/h30-32H,8-22H2,1-7H3.
What are the key properties of [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane?
[11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane has a molecular weight of 510.94 g/mol, XLogP of 5.21, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [11-dimethoxysilyl-6-(5-dimethoxysilylpentyl)-6-methylundecyl]-dimethoxysilane is sourced from PubChem (CID 123733042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).