6-(1,1-dimethoxyethylsilyl)hexyl-trimethoxysilane

C13H32O5Si2 — CID 123437532

IUPAC6-(1,1-dimethoxyethylsilyl)hexyl-trimethoxysilane
SMILESCOC(C)(OC)[SiH2]CCCCCC[Si](OC)(OC)OC
InChIInChI=1S/C13H32O5Si2/c1-13(14-2,15-3)19-11-9-7-8-10-12-20(16-4,17-5)18-6/h7-12,19H2,1-6H3
InChIKeyIASJVLVZNFLHQO-UHFFFAOYSA-N
MW324.57 g/mol
LogP1.98
Rot. Bonds13

About 6-(1,1-dimethoxyethylsilyl)hexyl-trimethoxysilane

6-(1,1-dimethoxyethylsilyl)hexyl-trimethoxysilane (PubChem CID 123437532) has the molecular formula C13H32O5Si2 and a molecular weight of 324.57 g/mol. Its IUPAC name is 6-(1,1-dimethoxyethylsilyl)hexyl-trimethoxysilane.

Molecular Properties

Compound Name6-(1,1-dimethoxyethylsilyl)hexyl-trimethoxysilane
PubChem CID123437532
Molecular FormulaC13H32O5Si2
Molecular Weight324.57 g/mol
Exact Mass324.18
IUPAC Name6-(1,1-dimethoxyethylsilyl)hexyl-trimethoxysilane
SMILESCOC(C)(OC)[SiH2]CCCCCC[Si](OC)(OC)OC
InChIInChI=1S/C13H32O5Si2/c1-13(14-2,15-3)19-11-9-7-8-10-12-20(16-4,17-5)18-6/h7-12,19H2,1-6H3
InChIKeyIASJVLVZNFLHQO-UHFFFAOYSA-N
XLogP1.98
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.57
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethoxyethyl-[4-(1,1-dimethoxyethylsilyl)butyl]silane
CID 173017003
trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
N-[3-[diethyl(methoxy)silyl]propyl]-3-(1,1-dimethoxyethylsilyl)propan-1-amine
CID 174617421
7,7-dimethyloctyl(trimethoxy)silane
CID 140817013
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
33-trimethoxysilyltritriacontan-1-amine
CID 87686996
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
1,1-dimethoxyethylsilylmethanamine
CID 173147351
dodecyl(trimethoxy)silane;octane
CID 174570785

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dimethoxyethylsilyl)hexyl-trimethoxysilane?
The IUPAC name of 6-(1,1-dimethoxyethylsilyl)hexyl-trimethoxysilane (CID 123437532) is 6-(1,1-dimethoxyethylsilyl)hexyl-trimethoxysilane.
What is the SMILES notation for 6-(1,1-dimethoxyethylsilyl)hexyl-trimethoxysilane?
The canonical SMILES for 6-(1,1-dimethoxyethylsilyl)hexyl-trimethoxysilane is COC(C)(OC)[SiH2]CCCCCC[Si](OC)(OC)OC.
What is the InChIKey of 6-(1,1-dimethoxyethylsilyl)hexyl-trimethoxysilane?
The InChIKey is IASJVLVZNFLHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32O5Si2/c1-13(14-2,15-3)19-11-9-7-8-10-12-20(16-4,17-5)18-6/h7-12,19H2,1-6H3.
What are the key properties of 6-(1,1-dimethoxyethylsilyl)hexyl-trimethoxysilane?
6-(1,1-dimethoxyethylsilyl)hexyl-trimethoxysilane has a molecular weight of 324.57 g/mol, XLogP of 1.98, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dimethoxyethylsilyl)hexyl-trimethoxysilane is sourced from PubChem (CID 123437532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).