Cyclooctene

CAT: 0127-OR1079015-02Size: 500 mLDry Ice: NoHazardous: No

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CAT#:0127-OR1079015-02Size:500 mL

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CAS Number

931-88-4

MDL Number

MFCD00001753

Purity

>95.0%

Smiles

C1CCCC=CCC1

Chemical Information

Cyclooctene

Cyclooctene is a cycloalkene with an eight-membered ring. It has a role as an Aspergillus metabolite and a Penicillium metabolite.

CAS Number	931-88-4
PubChem CID	638079
IUPAC Name	cyclooctene
Molecular Formula	C8H14
Molecular Weight	110.20
XLogP	3.5
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	62

SMILES

C1CCC/C=C\CC1

InChI

InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-

InChIKey

URYYVOIYTNXXBN-UPHRSURJSA-N

Chemical Structure

2D Structure

CAS: 931-88-4

CID: 638079

Formula: C8H14

MW: 110.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	110.20
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	110.109550447
Monoisotopic Mass	110.109550447
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	62.1
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
Compound Is Canonicalized	Yes

Catalog	Name
OR1077387	Cyclooctane
OR1097847-01	(4-Bromophenyl) cyclooctane
PC110212	Cyclooctyne-O-PFP ester
OR1034740-01	Cyclooctyne-O-NHS ester
OR1001113	2-Cycloocten-1-ol
OR26280-01	Cyclooctane-1,5-dione
OR62189-01	Cyclooctane-1,5-diol
OR1037012	Cis-cyclooctane-1,2-diol
OR1074191-01	Cis-Cyclooctane-1,5-diol
OR1009102-01	1,2-Bis (Trimethylsilyloxy) Cyclobutene

Catalog	Name
sc-239617	Cyclooctene
C32210-01	Cyclooctene oxide
267403-01	Cis-Cyclooctene
278715-01	5-Hydroxy-1-cyclooctene
C32200-01	Cyclooctene mix of isomers 95%
270562-01	Chlorobis (cyclooctene) rhodium (I) Dimer
900-AAT	Cy3 trans-cyclooctene [Cy3 TCO]
FE03990-01	1,2-Epoxy-5-cyclooctene
901-AAT	Cy5 trans-cyclooctene [Cy5 TCO]
sc-227613	Chlorobis (cyclooctene) iridium (I) dimer