2-Ethylcyclohex-2-en-1-one

CAT: 0926-GBA86360-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-GBA86360-01Size:50 mg

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CAS Number

31863-60-2

MDL Number

MFCD24687977

Smiles

CCC1=CCCCC1=O

Molecular Formula

C8H12O

Molecular Weight

124.18 g/mol

Controlled

Chemical Information

2-Ethylcyclohex-2-en-1-one

CAS Number	31863-60-2
PubChem CID	642521
IUPAC Name	2-ethylcyclohex-2-en-1-one
Molecular Formula	C8H12O
Molecular Weight	124.18
XLogP	1.7
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	145

SMILES

CCC1=CCCCC1=O

InChI

InChI=1S/C8H12O/c1-2-7-5-3-4-6-8(7)9/h5H,2-4,6H2,1H3

InChIKey

AHAATKOSNXIXCX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 31863-60-2

CID: 642521

Formula: C8H12O

MW: 124.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	124.18
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	124.088815002
Monoisotopic Mass	124.088815002
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	145
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
SAA29934-01	3-Ethylcyclohex-2-en-1-one
QBA79069-01	5-Ethylcyclohex-2-en-1-one
FAA51577	4-Ethylcyclohex-2-en-1-one
PBA54599-01	2-Phenylcyclopent-2-en-1-one
KAA48134-01	2-Bromocyclopent-2-en-1-one
IBA94836-01	2-Iodocyclohex-2-en-1-one
ACA87061-01	2-Bromocyclohex-2-en-1-one
KBA04468-01	1- (2,6,6-Trimethylcyclohex-1-en-1-yl) but-2-en-1-one
YHB17855-01	(2E) -2-Fluorocyclooct-2-en-1-one
IBA79483-01	2- (Methylamino) cyclohex-2-en-1-one

Catalog	Name
OR1064306	2- (4-Ethylcyclohex-1-en-1-yl) -4,4,5,5-tetramethyl-1,3,2-dioxaborolane
TRC-H954073-500MG	2-Hydroxycyclopent-2-en-1-one
OR960465-01	2-Bromocyclohex-2-en-1-one
OR19566-01	2-Bromocyclopent-2-en-1-one
TRC-B413338-500MG	2-methoxycyclopent-2-en-1-one
OR18379	Cyclohex-2-en-1-one
OR900263-01	Cyclohept-2-en-1-one
OR9084-01	Cyclopent-2-en-1-one
OR22091-01	2,3-Diphenylcycloprop-2-en-1-one
AR-C08642-01	2-Hydroxy-Cyclopent-2-en-1-one