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Ether, 2,6-diallylphenyl 2,3-epoxypropyl

HCID 38620
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Basic information

CAS
40693-04-7
Standard SMILES
C=CCc1cccc(CC=C)c1OCC1CO1
InChIKey
AKWBUTFNFOLZHD-UHFFFAOYSA-N
Molecular formula
C15H18O2
Average molar mass
230.3 g/mol
Monoisotopic mass
230.13067981

Names & identifiers

Preferred name
Ether, 2,6-diallylphenyl 2,3-epoxypropyl
IUPAC
2-[[2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane
English name
[[2,6-Di(2-propenyl)phenoxy]methyl]oxirane
Molecular formula
C15H18O2
Molecular weight
230.3

Names & synonyms

2,6-Diallylphenyl 2,3-epoxypropyl ether40693-04-7ETHER, 2,6-DIALLYLPHENYL 2,3-EPOXYPROPYLRefChem:341525[[2,6-Di(2-propenyl)phenoxy]methyl]oxiraneSCHEMBL10633815DTXSID509610962-{[2,6-di(prop-2-en-1-yl)phenoxy]methyl}oxiraneOxirane, 2-[(2,6-di-2-propen-1-ylphenoxy)methyl]-

Database identifiers

CAS
40693-04-7
PubChem CID
38620
DTXSID
DTXSID50961096
Nikkaji
J34.757D

Properties

Computed structural propertiesFilling in

XLogP
3.7
Topological polar surface area
21.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
17
Formal charge
0
Complexity
244

Physicochemical properties

Boiling point
126 · 126-129 °C(Press: 0.6 Torr)
Density
1.034 · 1.034±0.06 g/cm3(Predicted)

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