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7-Methylpentadeca-7,8-diene

CAT: 0127-OR1007367-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1007367-01Size:250 mg
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CAS Number
1492913-80-0
Purity
98%
Smiles
C(=CCCCCCC)=C(C)CCCCCC

Chemical Information

7-Methylpentadeca-7,8-diene
CAS Number1492913-80-0
PubChem CID71664609
IUPAC Name7-methylpentadeca-7,8-diene
Molecular FormulaC16H30
Molecular Weight222.41
XLogP7.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count10
Heavy Atom Count16
Formal Charge0
Complexity194
SMILES
CCCCCCC=C=C(C)CCCCCC
InChI
InChI=1S/C16H30/c1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2/h13H,4-12,14H2,1-3H3
InChIKey
UTULSGLOJLHVDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Methylpentadeca-7,8-diene
CAS: 1492913-80-0
CID: 71664609
Formula: C16H30
MW: 222.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.41
XLogP37.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count10
Exact Mass222.234750957
Monoisotopic Mass222.234750957
Topological Polar Surface Area0 Ų
Heavy Atom Count16
Formal Charge0
Complexity194
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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