3-Ethylcyclohexan-1-one

CAT: 0926-XAA46189-01Size: 2 gDry Ice: NoHazardous: No

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CAT#:0926-XAA46189-01Size:2 g

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CAS Number

22461-89-8

MDL Number

MFCD13562924

Smiles

CCC1CCCC (=O) C1

Molecular Formula

C8H14O

Molecular Weight

126.2 g/mol

Controlled

Chemical Information

3-Ethylcyclohexanone

CAS Number	22461-89-8
PubChem CID	228300
IUPAC Name	3-ethylcyclohexan-1-one
Molecular Formula	C8H14O
Molecular Weight	126.20
XLogP	1.9
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	107

SMILES

CCC1CCCC(=O)C1

InChI

InChI=1S/C8H14O/c1-2-7-4-3-5-8(9)6-7/h7H,2-6H2,1H3

InChIKey

IEVRHAUJJJBXFH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22461-89-8

CID: 228300

Formula: C8H14O

MW: 126.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.20
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	126.104465066
Monoisotopic Mass	126.104465066
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	107
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
EAA53476-01	3-Ethylcyclohexan-1-ol
QDA22626-01	1-Ethylcyclohexan-1-amine hydrochloride
HHC67929-01	4-Amino-1-ethylcyclohexan-1-ol
ECA12518-01	3-Ethynylcyclohexan-1-one
BAA74063-01	3-Ethenylcyclohexan-1-one
JBD34837-01	N- (Dicyclopropylmethyl) -4-ethylcyclohexan-1-amine hydrochloride
IBA48367-01	Rac- (1S,4R) -4-Ethylcyclohexan-1-amine hydrochloride
SAA29934-01	3-Ethylcyclohex-2-en-1-one
JFA39078-01	4-Ethylcycloheptan-1-one
DAA18341-01	2-Ethylcycloheptan-1-one

Catalog	Name
OR1040185-01	3-Ethylcyclohexan-1-one
OR5042-01	4-Ethylcyclohexan-1-one
OR91130-01	2-Ethylcyclohexan-1-one
OR12347-01	4-Ethylcyclohexan-1-amine
OR1100284-01	Trans-4-Ethylcyclohexan-1-amine hydrochloride
OR1047654-01	3,3-Dimethylisochroman-1-one
OR304364	3,3-Dimethylcyclobutan-1-one
TRC-D136745-1G	1,1-Dimethoxypentan-3-one
RG-A261734-01	1,1,1,3,3,3-Hexabromopropan-2-One
FH MW 0063-01	1,3-diphenylpropan-1-one