4- (Methoxymethyl) cyclohexan-1-one

CAT: 0926-SAA15984-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-SAA15984-01Size:50 mg

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CAS Number

17159-84-1

MDL Number

MFCD22381624

Smiles

COCC1CCC (=O) CC1

Molecular Formula

C8H14O2

Molecular Weight

142.2 g/mol

Controlled

Chemical Information

4-(Methoxymethyl)cyclohexan-1-one

CAS Number	17159-84-1
PubChem CID	57829016
IUPAC Name	4-(methoxymethyl)cyclohexan-1-one
Molecular Formula	C8H14O2
Molecular Weight	142.20
XLogP	0.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	110

SMILES

COCC1CCC(=O)CC1

InChI

InChI=1S/C8H14O2/c1-10-6-7-2-4-8(9)5-3-7/h7H,2-6H2,1H3

InChIKey

KPQOQSYRJHFQHS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17159-84-1

CID: 57829016

Formula: C8H14O2

MW: 142.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.20
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	142.099379685
Monoisotopic Mass	142.099379685
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110
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
PCC92841-01	4- (Methoxymethyl) cyclohexan-1-amine
QMC33669-01	4- (Cyclohexyloxy) cyclohexan-1-one
RMC47808-01	4- (Cyclopentyloxy) cyclohexan-1-one
VXC61575-01	4- (Methanesulfonylmethyl) cyclohexan-1-one
XHA38733-01	4- (Bromomethyl) cyclohexan-1-one
PAA37090-01	4- (4-Methylpentyl) cyclohexan-1-one
FAA30916-01	4- (4-Methoxyphenyl) cyclohexan-1-one
VEA92990-01	4-Hydroxy-4- (trifluoromethyl) cyclohexan-1-one
JCA79893-01	2- (4-Fluorophenoxy) cyclohexan-1-one
LFA33371-01	3- (4-Chlorophenyl) cyclohexan-1-one

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