(2E)-2-Dodecene

CAS Number: 7206-13-5
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CCCCCCCCC/C=C/C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C12H24
Molecular Weight
168.323
Drug-likeness
-23.491
CAS
7206-13-5
InChI key
ADOQBZAVKYCFOI-HWKANZROSA-N
SMILES
CCCCCCCCC/C=C/C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 7206-13-5
Molecule Name (2E)-2-Dodecene
Molecular Formula C12H24
SMILES CCCCCCCCC/C=C/C
InChI InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5H,4,6-12H2,1-2H3/b5-3+
InChI Key ADOQBZAVKYCFOI-HWKANZROSA-N
CanonicalSyTyLFy ab31e5b1a6ac5b04
TotalMolweight 168.323
Molecular Weight 168.323
MonoisotopicMass 168.1878
CLogP 5.269
CLogS -3.456
TotalSurfaceArea 174.6
Drug-likeness -23.491
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Molecula Flexibility 0.51494
Molecular Complexity 0.38918
Fragments 1
Non HAtoms 12
Rotatable Bond 8
Sp3Atoms 10

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