Cyclohexene,1-(3-me...

Cyclohexene,1-(3-methyl-3-hepten-1-yn-1-yl)- 5325-92-8

Cyclohexene,1-(3-methyl-3-hepten-1-yn-1-yl)- 5325-92-8

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Cyclohexene,1-(3-methyl-3-hepten-1-yn-1-yl)- 5325-92-8 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
Cyclohexene,1-(3-methyl-3-hepten-1-yn-1-yl)-
【Iupac name】
1-[(E)-3-methylhept-3-en-1-ynyl]cyclohexene
【CAS Registry number】
5325-92-8
【Synonyms】
Cyclohexene,1-(3-methyl-3-hepten-1-ynyl)- (9CI)
NSC 234
【Molecular Formula】
C14H20 (Products with the same molecular formula)
【Molecular Weight】
188.3086
【Inchi】
InChI=1/C14H20/c1-3-4-8-13(2)11-12-14-9-6-5-7-10-14/h8-9H,3-7,10H2,1-2H3/b13-8+
【Canonical SMILES】
CCCC=C(C)C#CC1=CCCCC1
【Isomers smiles】
CCC/C=C(\C)/C#CC1=CCCCC1
Chemical and Physical Properties
【Density】
0.89g/cm3
【Boiling Point】
273.7°C at 760 mmHg
【Refractive Index】
1.502
【Flash Point】
112.1°C
【Computed Properties】
Molecular Weight:188.3086 [g/mol]
Molecular Formula:C14H20
XLogP3-AA:5
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:4
Exact Mass:188.156501
MonoIsotopic Mass:188.156501
Topological Polar Surface Area:0
Heavy Atom Count:14
Formal Charge:0
Complexity:291
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:1
Effective Rotor Count:2.8
Conformer Sampling RMSD:0.6
CID Conformer Count:4

 

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