Allyl Ether

CAT: 0127-OR1079292-03Size: 500 mLDry Ice: NoHazardous: No

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CAT#:0127-OR1079292-03Size:500 mL

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CAS Number

557-40-4

Synonyms

Diallyl Ether

MDL Number

MFCD00008650

Purity

>98.0%

Smiles

C=CCOCC=C

Chemical Information

Diallyl ether

Diallyl ether appears as a liquid with an odor of radishes. Less dense than water. May be toxic by ingestion, skin absorption, and inhalation, and may irritate skin and eyes. Vapors heavier than air. Used to make other chemicals.

CAS Number	557-40-4
PubChem CID	11194
IUPAC Name	3-prop-2-enoxyprop-1-ene
Molecular Formula	C6H10O
Molecular Weight	98.14
XLogP	1.4
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	7
Formal Charge	0
Complexity	49

SMILES

C=CCOCC=C

InChI

InChI=1S/C6H10O/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2

InChIKey

ATVJXMYDOSMEPO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 557-40-4

CID: 11194

Formula: C6H10O

MW: 98.14

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	98.14
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	98.073164938
Monoisotopic Mass	98.073164938
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	49.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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sc-397470	Allyl ether
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441207-01	Allyl Glycidyl Ether
sc-278684	Allyl vinyl ether
sc-326134	Allyl pentafluorophenyl ether
sc-300177A	Allyl ethyl ether
sc-239207A	Allyl phenyl ether
467273-01	Tetrabromobisphenol A Allyl Ether
A14430-01	Allyl ether 97%
sc-233833	Allyl methyl ether

Allyl Ether

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