1,5-Cyclooctadiene

CAT: 0024-sc-237777BSize: 1 LDry Ice: NoHazardous: No

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CAT#:0024-sc-237777BSize:1 L

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CAS Number

111-78-4

Chemical Information

1,5-Cyclooctadiene

used in production of Nylon

CAS Number	111-78-4
PubChem CID	82916
IUPAC Name	(1Z,5Z)-cycloocta-1,5-diene
Molecular Formula	C8H12
Molecular Weight	108.18
XLogP	3.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	72

SMILES

C1/C=C\CC/C=C\C1

InChI

InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7-

InChIKey

VYXHVRARDIDEHS-QGTKBVGQSA-N

Chemical Structure

2D Structure

CAS: 111-78-4

CID: 82916

Formula: C8H12

MW: 108.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	108.18
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	108.093900383
Monoisotopic Mass	108.093900383
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	72.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-222938	1,3-Cyclooctadiene
sc-239569	Cis, cis-1,3-Cyclooctadiene
sc-224899	1,2-Bis[ (2S,5S) -2,5-dimethylphospholano]ethane (cyclooctadiene) rhodium (I) tetrafluoroborate
sc-224895A	1,2-Bis[ (2R,5R) -2,5-dimethylphospholano]benzene (cyclooctadiene) rhodium (I) tetrafluoroborate
sc-224892	1,2-Bis[ (2R,5R) -2,5- (dimethylphospholano]ethane (cyclooctadiene) rhodium (I) tetrafluoroborate
sc-252896	Hydroxy (cyclooctadiene) rhodium (I) dimer
sc-253008	Methoxy (cyclooctadiene) rhodium (I) dimer
sc-300347	Chloro (pentamethylcyclopentadienyl) (cyclooctadiene) ruthenium (II)
sc-224895	1,2-Bis[ (2R,5R) -2,5-dimethylphospholano]benzene (cyclooctadiene) rhodium (I) tetrafluoroborate
sc-224898A	1,2-Bis[ (2S,5S) -2,5-dimethylphospholano]benzene (cyclooctadiene) rhodium (I) trifluoromethanesulfonate

Catalog	Name
TRC-C984515-50G	1,5-Cyclooctadiene
C32120-01	1,5-Cyclooctadiene 98%
411406-01	1,5-Cyclooctadiene discontinued
TRC-B077000-5MG	1,5-Cyclooctadiene Rhodium Complex
IN11818-01	(1,5-Cyclooctadiene) Diphenylplatinum (II)
OR100000	Cis, cis-1,5-Cyclooctadiene
AR-M05442-01	Tetracarbonyl (1,5-cyclooctadiene) tungsten
MAA26692	(1,5-Cyclooctadiene) dimethylplatinum (II)
C0790-01	(1, 5-Cyclooctadiene) ruthenium chloride
C1850-01	Bis (1,5-Cyclooctadiene) Dimethoxydiiridium