Triethenylmethylsilane

CAS: 18244-95-6 · C7H12Si

2D Structure

Loading 3D structure...

CAS Registry Number

18244-95-6

SMILES

C=C[Si](C)(C=C)C=C

InChI Key

PKRKCDBTXBGLKV-UHFFFAOYSA-N

InChI

InChI=1S/C7H12Si/c1-5-8(4,6-2)7-3/h5-7H,1-3H2,4H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	124.26 g/mol	CAS Common Chemistry
	124.25899999999997 g/mol	RDKit
	124.259 g/mol	RDKit
Density	0.77 g/cm³	CAS Common Chemistry
	0.769 g/cm3	CAS Common Chemistry
Boiling Point	102 °C	CAS Common Chemistry
Canonical SMILES	C=C[Si](C=C)(C=C)C	CAS Common Chemistry
InChI	InChI=1S/C7H12Si/c1-5-8(4,6-2)7-3/h5-7H,1-3H2,4H3	CAS Common Chemistry
InChI Key	InChIKey=PKRKCDBTXBGLKV-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	107.6 °C	CAS Common Chemistry
Name	Triethenylmethylsilane	CAS Common Chemistry
Heavy Atom Count	8	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	3	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	2.2405999999999997	RDKit
	2.2406	RDKit
	2.15	chempirical lib
Molar Refractivity	42.20900000000001 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.1429	RDKit
	0.14	chempirical lib
Exact Mass	124.070826914 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 = 124.26 g/mol; density = 0.770 g/mL. Edit any field — others recompute live.

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