trichloro(octadecylsilyloxy)silane

C18H39Cl3OSi2 — CID 123961206

IUPACtrichloro(octadecylsilyloxy)silane
SMILESCCCCCCCCCCCCCCCCCC[SiH2]O[Si](Cl)(Cl)Cl
InChIInChI=1S/C18H39Cl3OSi2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-22-24(19,20)21/h2-18,23H2,1H3
InChIKeyTZPHSDKCIAKHRC-UHFFFAOYSA-N
MW434.04 g/mol
LogP7.92
Rot. Bonds19

About trichloro(octadecylsilyloxy)silane

trichloro(octadecylsilyloxy)silane (PubChem CID 123961206) has the molecular formula C18H39Cl3OSi2 and a molecular weight of 434.04 g/mol. Its IUPAC name is trichloro(octadecylsilyloxy)silane.

Molecular Properties

Compound Nametrichloro(octadecylsilyloxy)silane
PubChem CID123961206
Molecular FormulaC18H39Cl3OSi2
Molecular Weight434.04 g/mol
Exact Mass432.16
IUPAC Nametrichloro(octadecylsilyloxy)silane
SMILESCCCCCCCCCCCCCCCCCC[SiH2]O[Si](Cl)(Cl)Cl
InChIInChI=1S/C18H39Cl3OSi2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-22-24(19,20)21/h2-18,23H2,1H3
InChIKeyTZPHSDKCIAKHRC-UHFFFAOYSA-N
XLogP7.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.04
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

octyl(octylsilyloxy)silane
CID 151438773
dichloromethoxy(hexyl)silane
CID 150153887
ethoxy(hexyl)silane;hydrofluoride
CID 174883569
hexyl-[(2-methylpropan-2-yl)oxy]silane
CID 123485750
(2-methylpropan-2-yl)oxy-undecylsilane
CID 174595144
chloro-tri(nonyl)silane
CID 140826961
decane;ruthenium
CID 160818595
heptan-4-yloxy(hexadecyl)silane
CID 123750148
CID 123568586
CID 123568586
trichloro(18-octadecylsilyloctadecyl)silane
CID 172795504
trichloro(hexoxy)silane
CID 524762
octadecyl(silyloxysilyloxy)silane
CID 123979897

Frequently Asked Questions

What is the IUPAC name of trichloro(octadecylsilyloxy)silane?
The IUPAC name of trichloro(octadecylsilyloxy)silane (CID 123961206) is trichloro(octadecylsilyloxy)silane.
What is the SMILES notation for trichloro(octadecylsilyloxy)silane?
The canonical SMILES for trichloro(octadecylsilyloxy)silane is CCCCCCCCCCCCCCCCCC[SiH2]O[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro(octadecylsilyloxy)silane?
The InChIKey is TZPHSDKCIAKHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39Cl3OSi2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-22-24(19,20)21/h2-18,23H2,1H3.
What are the key properties of trichloro(octadecylsilyloxy)silane?
trichloro(octadecylsilyloxy)silane has a molecular weight of 434.04 g/mol, XLogP of 7.92, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(octadecylsilyloxy)silane is sourced from PubChem (CID 123961206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).