[dimethyl(4-methylpentadecyl)silyl]oxy-[dimethyl(octadecyl)silyl]oxy-dimethylsilane

C40H88O2Si3 — CID 90875295

IUPAC[dimethyl(4-methylpentadecyl)silyl]oxy-[dimethyl(octadecyl)silyl]oxy-dimethylsilane
SMILESCCCCCCCCCCCCCCCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC(C)CCCCCCCCCCC
InChIInChI=1S/C40H88O2Si3/c1-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-38-43(4,5)41-45(8,9)42-44(6,7)39-35-37-40(3)36-33-31-29-27-19-17-15-13-11-2/h40H,10-39H2,1-9H3
InChIKeyVLOARHGADAWAOA-UHFFFAOYSA-N
MW685.40 g/mol
LogP15.73
Rot. Bonds35

About [dimethyl(4-methylpentadecyl)silyl]oxy-[dimethyl(octadecyl)silyl]oxy-dimethylsilane

[dimethyl(4-methylpentadecyl)silyl]oxy-[dimethyl(octadecyl)silyl]oxy-dimethylsilane (PubChem CID 90875295) has the molecular formula C40H88O2Si3 and a molecular weight of 685.40 g/mol. Its IUPAC name is [dimethyl(4-methylpentadecyl)silyl]oxy-[dimethyl(octadecyl)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Name[dimethyl(4-methylpentadecyl)silyl]oxy-[dimethyl(octadecyl)silyl]oxy-dimethylsilane
PubChem CID90875295
Molecular FormulaC40H88O2Si3
Molecular Weight685.40 g/mol
Exact Mass684.61
IUPAC Name[dimethyl(4-methylpentadecyl)silyl]oxy-[dimethyl(octadecyl)silyl]oxy-dimethylsilane
SMILESCCCCCCCCCCCCCCCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC(C)CCCCCCCCCCC
InChIInChI=1S/C40H88O2Si3/c1-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-38-43(4,5)41-45(8,9)42-44(6,7)39-35-37-40(3)36-33-31-29-27-19-17-15-13-11-2/h40H,10-39H2,1-9H3
InChIKeyVLOARHGADAWAOA-UHFFFAOYSA-N
XLogP15.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds35
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.40
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[dimethyl(trimethylsilyloxy)silyl]oxy-hexadecyl-dimethylsilane
CID 150264689
decyl-[hexyl(dimethyl)silyl]oxy-dimethylsilane
CID 139697813
[dimethyl(tricosyl)silyl]oxy-dimethyl-tricosylsilane
CID 141102746
heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane
CID 12566776
trimethoxy(4-methylicosyl)silane
CID 88743380
8-methyloctadecane
CID 530154
11-methylpentacosane
CID 526107
7,13-dimethylnonatriacontane
CID 91752073
7,13-dimethylhexacosane
CID 91751102
15-methylhentetracontane
CID 56936162
(7R)-7-methyltricosane
CID 162971691
6-methylheptacosane
CID 22223776

Frequently Asked Questions

What is the IUPAC name of [dimethyl(4-methylpentadecyl)silyl]oxy-[dimethyl(octadecyl)silyl]oxy-dimethylsilane?
The IUPAC name of [dimethyl(4-methylpentadecyl)silyl]oxy-[dimethyl(octadecyl)silyl]oxy-dimethylsilane (CID 90875295) is [dimethyl(4-methylpentadecyl)silyl]oxy-[dimethyl(octadecyl)silyl]oxy-dimethylsilane.
What is the SMILES notation for [dimethyl(4-methylpentadecyl)silyl]oxy-[dimethyl(octadecyl)silyl]oxy-dimethylsilane?
The canonical SMILES for [dimethyl(4-methylpentadecyl)silyl]oxy-[dimethyl(octadecyl)silyl]oxy-dimethylsilane is CCCCCCCCCCCCCCCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCC(C)CCCCCCCCCCC.
What is the InChIKey of [dimethyl(4-methylpentadecyl)silyl]oxy-[dimethyl(octadecyl)silyl]oxy-dimethylsilane?
The InChIKey is VLOARHGADAWAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H88O2Si3/c1-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-38-43(4,5)41-45(8,9)42-44(6,7)39-35-37-40(3)36-33-31-29-27-19-17-15-13-11-2/h40H,10-39H2,1-9H3.
What are the key properties of [dimethyl(4-methylpentadecyl)silyl]oxy-[dimethyl(octadecyl)silyl]oxy-dimethylsilane?
[dimethyl(4-methylpentadecyl)silyl]oxy-[dimethyl(octadecyl)silyl]oxy-dimethylsilane has a molecular weight of 685.40 g/mol, XLogP of 15.73, 35 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(4-methylpentadecyl)silyl]oxy-[dimethyl(octadecyl)silyl]oxy-dimethylsilane is sourced from PubChem (CID 90875295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).