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1,13-Tetradecadiene

CAT: 0127-OR1028454-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1028454-01Size:100 mg
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CAS Number
21964-49-8
Synonyms
Tetradeca-1,13-diene
Purity
90%
Smiles
C=CCCCCCCCCCCC=C

Chemical Information

Tetradeca-1,13-diene
CAS Number21964-49-8
PubChem CID30875
IUPAC Nametetradeca-1,13-diene
Molecular FormulaC14H26
Molecular Weight194.36
XLogP6.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count11
Heavy Atom Count14
Formal Charge0
Complexity108
SMILES
C=CCCCCCCCCCCC=C
InChI
InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-4H,1-2,5-14H2
InChIKey
XMRSTLBCBDIKFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetradeca-1,13-diene
CAS: 21964-49-8
CID: 30875
Formula: C14H26
MW: 194.36
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight194.36
XLogP36.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count11
Exact Mass194.203450829
Monoisotopic Mass194.203450829
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity108
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