Octadecyltrichlorosilane

CAS: 112-04-9 · C18H37Cl3Si

2D Structure

Loading 3D structure...

CAS Registry Number

112-04-9

SMILES

CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl

InChI Key

PYJJCSYBSYXGQQ-UHFFFAOYSA-N

InChI

InChI=1S/C18H37Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	387.94 g/mol	CAS Common Chemistry
	387.93899999999985 g/mol	RDKit
	387.939 g/mol	RDKit
	387.93 g/mol	chempirical lib
Density	0.95 g/cm³	CAS Common Chemistry
	0.950 g/cm3 @ 22 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Octadecyltrichlorosilane	CAS Common Chemistry
Boiling Point	223 °C	CAS Common Chemistry
Canonical SMILES	Cl[Si](Cl)(Cl)CCCCCCCCCCCCCCCCCC	CAS Common Chemistry
InChI	InChI=1S/C18H37Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3	CAS Common Chemistry
InChI Key	InChIKey=PYJJCSYBSYXGQQ-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	22 °C	CAS Common Chemistry
Name	Trichlorooctadecylsilane	CAS Common Chemistry
	Octadecyltrichlorosilane	CAS Common Chemistry
Heavy Atom Count	22	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	17	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	8.9032	RDKit
	9.21	chempirical lib
Molar Refractivity	107.66600000000008 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	386.173010754 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 387.94 g/mol; density = 0.950 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)