[dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane

C33H74O7Si3 — CID 168727663

IUPAC[dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane
SMILESCCCCCCCCCCCC[Si](OC)(OC)O[Si](CCCCCCCC)(OC)O[Si](CCCCCCCC)(OC)OC
InChIInChI=1S/C33H74O7Si3/c1-9-12-15-18-21-22-23-24-27-29-32-42(36-6,37-7)40-43(38-8,33-30-26-20-17-14-11-3)39-41(34-4,35-5)31-28-25-19-16-13-10-2/h9-33H2,1-8H3
InChIKeyLFXZQZZGNKLJLM-UHFFFAOYSA-N
MW667.21 g/mol
LogP10.71
Rot. Bonds34

About [dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane

[dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane (PubChem CID 168727663) has the molecular formula C33H74O7Si3 and a molecular weight of 667.21 g/mol. Its IUPAC name is [dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane.

Molecular Properties

Compound Name[dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane
PubChem CID168727663
Molecular FormulaC33H74O7Si3
Molecular Weight667.21 g/mol
Exact Mass666.47
IUPAC Name[dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane
SMILESCCCCCCCCCCCC[Si](OC)(OC)O[Si](CCCCCCCC)(OC)O[Si](CCCCCCCC)(OC)OC
InChIInChI=1S/C33H74O7Si3/c1-9-12-15-18-21-22-23-24-27-29-32-42(36-6,37-7)40-43(38-8,33-30-26-20-17-14-11-3)39-41(34-4,35-5)31-28-25-19-16-13-10-2/h9-33H2,1-8H3
InChIKeyLFXZQZZGNKLJLM-UHFFFAOYSA-N
XLogP10.71
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds34
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.21
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
azane;trimethoxy(pentyl)silane
CID 19608931
decyl(trimethoxy)silane;trimethoxysilane
CID 158226172
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
ethoxysilane;hexadecyl(trimethoxy)silane
CID 162057078
dodecyl-diethoxy-methoxysilane
CID 141483107

Frequently Asked Questions

What is the IUPAC name of [dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane?
The IUPAC name of [dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane (CID 168727663) is [dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane.
What is the SMILES notation for [dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane?
The canonical SMILES for [dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane is CCCCCCCCCCCC[Si](OC)(OC)O[Si](CCCCCCCC)(OC)O[Si](CCCCCCCC)(OC)OC.
What is the InChIKey of [dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane?
The InChIKey is LFXZQZZGNKLJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H74O7Si3/c1-9-12-15-18-21-22-23-24-27-29-32-42(36-6,37-7)40-43(38-8,33-30-26-20-17-14-11-3)39-41(34-4,35-5)31-28-25-19-16-13-10-2/h9-33H2,1-8H3.
What are the key properties of [dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane?
[dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane has a molecular weight of 667.21 g/mol, XLogP of 10.71, 34 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane is sourced from PubChem (CID 168727663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).