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3-Methyldodeca-1,2-diene

CAT: 0127-OR1032616-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1032616-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1206588-16-0
Purity
98%
Smiles
C(=C)=C(C)CCCCCCCCC

Chemical Information

3-Methyldodeca-1,2-diene
CAS Number1206588-16-0
PubChem CID57311683
IUPAC Name3-methyldodeca-1,2-diene
Molecular FormulaC13H24
Molecular Weight180.33
XLogP5.9
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count8
Heavy Atom Count13
Formal Charge0
Complexity149
SMILES
CCCCCCCCCC(=C=C)C
InChI
InChI=1S/C13H24/c1-4-6-7-8-9-10-11-12-13(3)5-2/h2,4,6-12H2,1,3H3
InChIKey
JSAWPEYIUZVCOT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methyldodeca-1,2-diene
CAS: 1206588-16-0
CID: 57311683
Formula: C13H24
MW: 180.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.33
XLogP35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count8
Exact Mass180.187800766
Monoisotopic Mass180.187800766
Topological Polar Surface Area0 Ų
Heavy Atom Count13
Formal Charge0
Complexity149
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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