2-Ethyl-5-methylcyclohexan-1-one

CAT: 0926-REA53093-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-REA53093-01Size:50 mg

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CAS Number

116530-93-9

MDL Number

MFCD24688554

Smiles

CCC1CCC (CC1=O) C

Molecular Formula

C9H16O

Molecular Weight

140.22 g/mol

Controlled

Chemical Information

2-Ethyl-5-methylcyclohexan-1-one

CAS Number	116530-93-9
PubChem CID	21572667
IUPAC Name	2-ethyl-5-methylcyclohexan-1-one
Molecular Formula	C9H16O
Molecular Weight	140.22
XLogP	2.3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	129

SMILES

CCC1CCC(CC1=O)C

InChI

InChI=1S/C9H16O/c1-3-8-5-4-7(2)6-9(8)10/h7-8H,3-6H2,1-2H3

InChIKey

RVJFCLIBKNVRSI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 116530-93-9

CID: 21572667

Formula: C9H16O

MW: 140.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.22
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	140.120115130
Monoisotopic Mass	140.120115130
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
QEA68476-01	2-Ethyl-4-methylcyclohexan-1-one
CKA85442-01	2-Ethyl-N-methylcyclohexan-1-amine
BAC92344-01	N-Ethyl-2-methylcyclohexan-1-amine hydrochloride
DAA47678-01	2-Hydroxy-2-methylcyclohexan-1-one
CKA85434-01	4-Ethyl-N-methylcyclohexan-1-amine
PBA19092-01	N-Ethyl-4-methylcyclohexan-1-amines
PBA19091-01	N-Ethyl-3-methylcyclohexan-1-amines
BFC28782-01	4-Ethyl-4-methylcyclohexan-1-amine
EWB87582-01	1- (Aminomethyl) -2-methylcyclohexan-1-amine
RYB16363-01	2- (Aminomethyl) -2-methylcyclohexan-1-ol

Catalog	Name
JH916303	2-Ethynyl-2-methylcyclohexan-1-one
RG-A260154-01	(2S,5R) -2-Isopropyl-5-Methylcyclohexan-1-One
OR1027327-01	4-Ethyl-N-Methylcyclohexan-1-Amine
OR10028-01	2-Methylcyclohexan-1-ol
OR5041-01	4-Methylcyclohexan-1-one
OR0513	2- (Hydroxyamino) -2-methylcyclohexan-1-one oxime acetate
OR1101390-01	R-3-Methylcyclohexan-1-One
OR26578	Cis-2-Methylcyclohexan-1-ol
JH498700	4-fluoro-4-methylcyclohexan-1-one
AQ C6 0019-01	4-acetyl-4-methylcyclohexan-1-one