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1,2-Epoxytetradecane

CAT: 0127-OR1009133-01Size: 5 mLDry Ice: NoHazardous: No
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CAT#:0127-OR1009133-01Size:5 mL
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CAS Number
3234-28-4
MDL Number
MFCD00037524
Purity
95%
Smiles
CCCCCCCCCCCCC1CO1

Chemical Information

1,2-Epoxytetradecane

1,2-epoxytetradecane is a clear colorless mobile liquid with an ether-like odor. (NTP, 1992)

CAS Number3234-28-4
PubChem CID18604
IUPAC Name2-dodecyloxirane
Molecular FormulaC14H28O
Molecular Weight212.37
XLogP6.3
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Heavy Atom Count15
Formal Charge0
Complexity133
SMILES
CCCCCCCCCCCCC1CO1
InChI
InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h14H,2-13H2,1H3
InChIKey
IOHJQSFEAYDZGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Epoxytetradecane
CAS: 3234-28-4
CID: 18604
Formula: C14H28O
MW: 212.37
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight212.37
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
Exact Mass212.214015512
Monoisotopic Mass212.214015512
Topological Polar Surface Area12.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes