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Pentaerythritol Triallyl Ether

CAT: 0127-OR1014591-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1014591-01Size:25 g
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CAS Number
1471-17-6
MDL Number
MFCD31620861
Purity
75%
Smiles
OCC(COCC=C)(COCC=C)COCC=C

Chemical Information

3-(Allyloxy)-2,2-bis((allyloxy)methyl)propanol
CAS Number1471-17-6
PubChem CID73854
IUPAC Name3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol
Molecular FormulaC14H24O4
Molecular Weight256.34
XLogP1.1
Topological Polar Surface Area47.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count18
Formal Charge0
Complexity202
SMILES
C=CCOCC(CO)(COCC=C)COCC=C
InChI
InChI=1S/C14H24O4/c1-4-7-16-11-14(10-15,12-17-8-5-2)13-18-9-6-3/h4-6,15H,1-3,7-13H2
InChIKey
FYRWKWGEFZTOQI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Allyloxy)-2,2-bis((allyloxy)methyl)propanol
CAS: 1471-17-6
CID: 73854
Formula: C14H24O4
MW: 256.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight256.34
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass256.16745924
Monoisotopic Mass256.16745924
Topological Polar Surface Area47.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity202
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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