Dichlorodihexylsilane

CAS: 18204-93-8 · C12H26Cl2Si

2D Structure

Loading 3D structure...

CAS Registry Number

18204-93-8

SMILES

CCCCCC[Si](Cl)(Cl)CCCCCC

InChI Key

NRAYZPGATNMOSB-UHFFFAOYSA-N

InChI

InChI=1S/C12H26Cl2Si/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h3-12H2,1-2H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	269.33 g/mol	CAS Common Chemistry
	269.33199999999994 g/mol	RDKit
	269.332 g/mol	RDKit
	269.326 g/mol	chempirical lib
Density	0.96 g/cm³	CAS Common Chemistry
	0.9617 g/cm3 @ 420 °C	CAS Common Chemistry
Canonical SMILES	Cl[Si](Cl)(CCCCCC)CCCCCC	CAS Common Chemistry
InChI	InChI=1S/C12H26Cl2Si/c1-3-5-7-9-11-15(13,14)12-10-8-6-4-2/h3-12H2,1-2H3	CAS Common Chemistry
InChI Key	InChIKey=NRAYZPGATNMOSB-UHFFFAOYSA-N	CAS Common Chemistry
Name	Dichlorodihexylsilane	CAS Common Chemistry
Heavy Atom Count	15	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	10	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	6.066800000000005	RDKit
	6.0668	RDKit
	6.31	chempirical lib
Molar Refractivity	75.35800000000005 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	268.118082722 g/mol	RDKit
Boiling Point	111-113 °C @ 6 Torr	CAS Common Chemistry

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 = 269.33 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.

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