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1,2-Epoxyhexane

CAT: 0926-J-640004-02Size: 250 gDry Ice: NoHazardous: No
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CAT#:0926-J-640004-02Size:250 g
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CAS Number
1436-34-6
Synonyms
1,2-Hexene oxide; Butyloxirane
MDL Number
MFCD00005154
Smiles
CCCCC1CO1
Molecular Formula
C6H12O
Molecular Weight
100.16 g/mol
Controlled
No

Chemical Information

2-Butyloxirane

butyloxirane has been reported in Solanum lycopersicum with data available.

CAS Number1436-34-6
PubChem CID15036
IUPAC Name2-butyloxirane
Molecular FormulaC6H12O
Molecular Weight100.16
XLogP1.9
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity52
SMILES
CCCCC1CO1
InChI
InChI=1S/C6H12O/c1-2-3-4-6-5-7-6/h6H,2-5H2,1H3
InChIKey
WHNBDXQTMPYBAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Butyloxirane
CAS: 1436-34-6
CID: 15036
Formula: C6H12O
MW: 100.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight100.16
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass100.088815002
Monoisotopic Mass100.088815002
Topological Polar Surface Area12.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity52.1
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

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