trichloro(18-octadecylsilyloctadecyl)silane

C36H75Cl3Si2 — CID 172795504

IUPACtrichloro(18-octadecylsilyloctadecyl)silane
SMILESCCCCCCCCCCCCCCCCCC[SiH2]CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C36H75Cl3Si2/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25-28-31-34-40-35-32-29-26-23-20-17-14-11-12-15-18-21-24-27-30-33-36-41(37,38)39/h2-36,40H2,1H3
InChIKeyQDMMSFLSCGUAAH-UHFFFAOYSA-N
MW670.53 g/mol
LogP15.15
Rot. Bonds36

About trichloro(18-octadecylsilyloctadecyl)silane

trichloro(18-octadecylsilyloctadecyl)silane (PubChem CID 172795504) has the molecular formula C36H75Cl3Si2 and a molecular weight of 670.53 g/mol. Its IUPAC name is trichloro(18-octadecylsilyloctadecyl)silane.

Molecular Properties

Compound Nametrichloro(18-octadecylsilyloctadecyl)silane
PubChem CID172795504
Molecular FormulaC36H75Cl3Si2
Molecular Weight670.53 g/mol
Exact Mass668.45
IUPAC Nametrichloro(18-octadecylsilyloctadecyl)silane
SMILESCCCCCCCCCCCCCCCCCC[SiH2]CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChIInChI=1S/C36H75Cl3Si2/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25-28-31-34-40-35-32-29-26-23-20-17-14-11-12-15-18-21-24-27-30-33-36-41(37,38)39/h2-36,40H2,1H3
InChIKeyQDMMSFLSCGUAAH-UHFFFAOYSA-N
XLogP15.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds36
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.53
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

trichloro(octyl)silane
CID 21354
chlorosilane;trichloro(tetradecyl)silane
CID 159383155
trichloro(3-chloropropyl)silane;trichloro(octyl)silane
CID 87989801
hexyl(propyl)silane
CID 123901790
trichloro(6-methylsilylhexyl)silane
CID 150136546
ethoxysilane;trichloro(octadecyl)silane
CID 158053635
trichloro(octadecyl)silane;trimethoxy(octadecyl)silane
CID 174467705
trichloro(octadecyl)silane;trimethoxy(methyl)silane
CID 174224724
trichloro(9-trichlorosilylnonyl)silane
CID 10172893
2-methylheptane;trichloro(decyl)silane;hydrofluoride
CID 174930865
ethyl(heptyl)silane;heptane
CID 175295360
chloro-tri(nonyl)silane
CID 140826961

Frequently Asked Questions

What is the IUPAC name of trichloro(18-octadecylsilyloctadecyl)silane?
The IUPAC name of trichloro(18-octadecylsilyloctadecyl)silane (CID 172795504) is trichloro(18-octadecylsilyloctadecyl)silane.
What is the SMILES notation for trichloro(18-octadecylsilyloctadecyl)silane?
The canonical SMILES for trichloro(18-octadecylsilyloctadecyl)silane is CCCCCCCCCCCCCCCCCC[SiH2]CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro(18-octadecylsilyloctadecyl)silane?
The InChIKey is QDMMSFLSCGUAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H75Cl3Si2/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25-28-31-34-40-35-32-29-26-23-20-17-14-11-12-15-18-21-24-27-30-33-36-41(37,38)39/h2-36,40H2,1H3.
What are the key properties of trichloro(18-octadecylsilyloctadecyl)silane?
trichloro(18-octadecylsilyloctadecyl)silane has a molecular weight of 670.53 g/mol, XLogP of 15.15, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(18-octadecylsilyloctadecyl)silane is sourced from PubChem (CID 172795504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).