trichloro(octadecyl)silane;trimethoxy(octadecyl)silane

C39H83Cl3O3Si2 — CID 174467705

IUPACtrichloro(octadecyl)silane;trimethoxy(octadecyl)silane
SMILESCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl.CCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC
InChIInChI=1S/C21H46O3Si.C18H37Cl3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22-2,23-3)24-4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h5-21H2,1-4H3;2-18H2,1H3
InChIKeyLAVONIPLZCFZOU-UHFFFAOYSA-N
MW762.62 g/mol
LogP16.03
Rot. Bonds37

About trichloro(octadecyl)silane;trimethoxy(octadecyl)silane

trichloro(octadecyl)silane;trimethoxy(octadecyl)silane (PubChem CID 174467705) has the molecular formula C39H83Cl3O3Si2 and a molecular weight of 762.62 g/mol. Its IUPAC name is trichloro(octadecyl)silane;trimethoxy(octadecyl)silane.

Molecular Properties

Compound Nametrichloro(octadecyl)silane;trimethoxy(octadecyl)silane
PubChem CID174467705
Molecular FormulaC39H83Cl3O3Si2
Molecular Weight762.62 g/mol
Exact Mass760.49
IUPAC Nametrichloro(octadecyl)silane;trimethoxy(octadecyl)silane
SMILESCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl.CCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC
InChIInChI=1S/C21H46O3Si.C18H37Cl3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22-2,23-3)24-4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h5-21H2,1-4H3;2-18H2,1H3
InChIKeyLAVONIPLZCFZOU-UHFFFAOYSA-N
XLogP16.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds37
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.62
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze trichloro(octadecyl)silane;trimethoxy(octadecyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
trichloro(octyl)silane
CID 21354
trichloro(octadecyl)silane;trimethoxy(methyl)silane
CID 174224724
azane;trimethoxy(pentyl)silane
CID 19608931
chlorosilane;trichloro(tetradecyl)silane
CID 159383155
decyl(trimethoxy)silane;trimethoxysilane
CID 158226172

Frequently Asked Questions

What is the IUPAC name of trichloro(octadecyl)silane;trimethoxy(octadecyl)silane?
The IUPAC name of trichloro(octadecyl)silane;trimethoxy(octadecyl)silane (CID 174467705) is trichloro(octadecyl)silane;trimethoxy(octadecyl)silane.
What is the SMILES notation for trichloro(octadecyl)silane;trimethoxy(octadecyl)silane?
The canonical SMILES for trichloro(octadecyl)silane;trimethoxy(octadecyl)silane is CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl.CCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC.
What is the InChIKey of trichloro(octadecyl)silane;trimethoxy(octadecyl)silane?
The InChIKey is LAVONIPLZCFZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O3Si.C18H37Cl3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22-2,23-3)24-4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h5-21H2,1-4H3;2-18H2,1H3.
What are the key properties of trichloro(octadecyl)silane;trimethoxy(octadecyl)silane?
trichloro(octadecyl)silane;trimethoxy(octadecyl)silane has a molecular weight of 762.62 g/mol, XLogP of 16.03, 37 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(octadecyl)silane;trimethoxy(octadecyl)silane is sourced from PubChem (CID 174467705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).