[1,1'-Bi (cyclohexan) ]-1'-en-2-one

CAT: 0127-OR80653Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR80653Size:1 Each

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1502-22-3

Purity

85%, cont. ca 10% 2-cyclohexylidenecyclohexanone

Smiles

O=C1C(C2=CCCCC2)CCCC1

Chemical Information

Cyclohexenylcyclohexanone

structure

CAS Number	1502-22-3
PubChem CID	101175
IUPAC Name	2-(cyclohexen-1-yl)cyclohexan-1-one
Molecular Formula	C12H18O
Molecular Weight	178.27
XLogP	2.7
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	227

SMILES

C1CCC(=CC1)C2CCCCC2=O

InChI

InChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2

InChIKey

GVNVAWHJIKLAGL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1502-22-3

CID: 101175

Formula: C12H18O

MW: 178.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.27
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	178.135765193
Monoisotopic Mass	178.135765193
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	227
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1072345-01	1'-Hydroxy-[1,1'-bi (cyclohexan) ]-2-one
OR1010553-01	2-Methyl-5- (Prop-1-En-2-yl) Cyclohexan-1-One
OR18379	Cyclohex-2-en-1-one
OR40419-01	2- (Hydroxymethyl) cyclohexan-1-one
OR1063402-01	2- (Cyclopropylmethyl) cyclohexan-1-one
OR1024607-01	2-Methyl-5- (Prop-1-En-2-yl) Cyclohexan-1-Ol
OR1011906-01	5-Methyl-2- (Prop-1-En-2-Yl) Cyclohexan-1-Ol
OR1065478-01	1-Methyl-4- (prop-1-en-2-yl) cyclohexan-1-ol
OR87195	2- (2-Chlorophenyl) cyclohexan-1-one
OR1066345-01	Rel- (2R,5R) -2-Methyl-5- (prop-1-en-2-yl) cyclohexan-1-one

Catalog	Name
RCA83879-01	1- (Prop-2-en-1-yl) cyclohexan-1-amine
WAA89583-01	2- (Prop-2-en-1-yl) cyclohexan-1-ol
414196-01	2- (Dimethylamino) ethyl [1,1'-Bi (cyclohexan) ]-1'-ene-1-carboxylate
TRC-D462340-100MG	2-(Dimethylamino)ethyl [1,1'-Bi(cyclohexan)]-1'-ene-1-carboxylate
QAA83938-01	2- (Dimethoxymethyl) cyclohexan-1-one
CCA06184-01	2- (Diethylamino) cyclohexan-1-one
sc-259340A	2- (Phenylmethylene) cyclohexan-1-one
CVD03575-01	2- (Dimethylphosphoryl) cyclohexan-1-one
FAA52405-01	(2R,5R) -2-Methyl-5- (prop-1-en-2-yl) cyclohexan-1-one
HWB73552-01	2- (Azepan-1-yl) cyclohexan-1-one