4-Ethylcyclohexan-1-one

CAT: 0127-OR5042-01Size: 25 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR5042-01Size:25 g

Selected

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

Quick Request Actions

CAS Number

5441-51-0

Synonyms

1-Ethyl-4-oxocyclohexane

MDL Number

MFCD00001644

Purity

99%

Smiles

CCC1CCC(=O)CC1

Chemical Information

4-Ethylcyclohexanone

CAS Number	5441-51-0
PubChem CID	79506
IUPAC Name	4-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	97

SMILES

CCC1CCC(=O)CC1

InChI

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

InChIKey

OKSDJGWHKXFVME-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5441-51-0

CID: 79506

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	97.1
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
OR1040185-01	3-Ethylcyclohexan-1-one
OR91130-01	2-Ethylcyclohexan-1-one
OR12347-01	4-Ethylcyclohexan-1-amine
OR1100284-01	Trans-4-Ethylcyclohexan-1-amine hydrochloride
OR83101-01	4-Ethynylcyclohexan-1-one
PC7922-01	4,4-Difluorocyclohexan-1-one
OR18607-01	4,4-Dimethylcyclohexan-1-one
OR22809	4,4-Dipropylcyclohexan-1-one
OR1066184-01	Trans-4-Ethylcyclohexane-1-carbaldehyde
OR360087	4-Ethylcyclohexen-1-ylboronic acid

Catalog	Name
XAA46189-01	3-Ethylcyclohexan-1-one
sc-349476A	4-ethylcyclohexan-1-amine
HHC67929-01	4-Amino-1-ethylcyclohexan-1-ol
EAA53476-01	3-Ethylcyclohexan-1-ol
JBD34837-01	N- (Dicyclopropylmethyl) -4-ethylcyclohexan-1-amine hydrochloride
QDA22626-01	1-Ethylcyclohexan-1-amine hydrochloride
IBA48367-01	Rac- (1S,4R) -4-Ethylcyclohexan-1-amine hydrochloride
KBA09949-01	4,4-Dimethylcycloheptan-1-one
FD104427-01	4,4-Difluorocyclohexan-1-one
sc-258878	1,1,1,4,4,4-Hexafluorobutan-2-one