Octyltrichlorosilane

CAS: 5283-66-9 · C8H17Cl3Si

2D Structure

Loading 3D structure...

CAS Registry Number

5283-66-9

SMILES

CCCCCCCC[Si](Cl)(Cl)Cl

InChI Key

RCHUVCPBWWSUMC-UHFFFAOYSA-N

InChI

InChI=1S/C8H17Cl3Si/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	247.67 g/mol	CAS Common Chemistry
	247.669 g/mol	RDKit
	247.66 g/mol	chempirical lib
Density	1.07 g/cm³	CAS Common Chemistry
	1.074 g/cm3	CAS Common Chemistry
Boiling Point	232 °C	CAS Common Chemistry
Canonical SMILES	Cl[Si](Cl)(Cl)CCCCCCCC	CAS Common Chemistry
InChI	InChI=1S/C8H17Cl3Si/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3	CAS Common Chemistry
InChI Key	InChIKey=RCHUVCPBWWSUMC-UHFFFAOYSA-N	CAS Common Chemistry
Name	Octyltrichlorosilane	CAS Common Chemistry
Heavy Atom Count	12	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	7	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	5.002200000000004	RDKit
	5.0022	RDKit
	5.31	chempirical lib
Molar Refractivity	61.496000000000045 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	246.016510114 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 = 247.67 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.

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