Allyl Glycidyl Ether

CAS: 106-92-3 | C6H10O2

2D Structure

Loading 3D structure...

CAS Registry Number

106-92-3

SMILES

C=CCOCC1CO1

InChI Key

LSWYGACWGAICNM-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O2/c1-2-3-7-4-6-5-8-6/h2,6H,1,3-5H2

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	114.14 g/mol	CAS Common Chemistry
	114.14399999999999 g/mol	RDKit
	114.144 g/mol	RDKit
Density	0.97 g/cm³	CAS Common Chemistry
	0.9698 g/cm3 @ 20 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Allyl_glycidyl_ether	CAS Common Chemistry
Canonical SMILES	O(CC=C)CC1OC1	CAS Common Chemistry
InChI	InChI=1S/C6H10O2/c1-2-3-7-4-6-5-8-6/h2,6H,1,3-5H2	CAS Common Chemistry
InChI Key	InChIKey=LSWYGACWGAICNM-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	-100 °C	CAS Common Chemistry
Name	Allyl glycidyl ether	CAS Common Chemistry
Heavy Atom Count	8	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	4	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	21.759999999999998 Å²	RDKit
	21.76 Å²	RDKit
LogP	0.5878	RDKit
Molar Refractivity	30.755999999999986 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.6667	RDKit
	0.67	chempirical lib
Exact Mass	114.06807956 g/mol	RDKit
Boiling Point	153.9 °C @ 760 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.

Other compounds with formula C6H10O2.