R-3-Methylcyclohexan-1-One

CAT: 0127-OR1101390-04Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1101390-04Size:5 g

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CAS Number

13368-65-5

Synonyms

(3R) -3-methylcyclohexan-1-one

MDL Number

MFCD00062999

Purity

98%

Smiles

C[C@@H]1CCCC (=O) C1

Chemical Information

(+)-3-Methylcyclohexanone

(R)-3-Methylcyclohexanone is a cyclic ketone.

CAS Number	13368-65-5
PubChem CID	83384
IUPAC Name	(3R)-3-methylcyclohexan-1-one
Molecular Formula	C7H12O
Molecular Weight	112.17
XLogP	1.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	96

SMILES

C[C@@H]1CCCC(=O)C1

InChI

InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3/t6-/m1/s1

InChIKey

UJBOOUHRTQVGRU-ZCFIWIBFSA-N

Chemical Structure

2D Structure

CAS: 13368-65-5

CID: 83384

Formula: C7H12O

MW: 112.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	112.17
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	112.088815002
Monoisotopic Mass	112.088815002
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	96.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
OR5041-01	4-Methylcyclohexan-1-one
OR1074363-01	Cis-3-Methylcyclohexan-1-ol
OR10028-01	2-Methylcyclohexan-1-ol
OR322313-01	1-Methylcyclohexan-1-amine hydrochloride
OR1070317-01	(1R,3R) -3-Amino-1-methylcyclohexan-1-ol
OR0513	2- (Hydroxyamino) -2-methylcyclohexan-1-one oxime acetate
OR1001727	(R) -3-Methylcyclopentadecan-1-one
OR26578	Cis-2-Methylcyclohexan-1-ol
OR59320-01	Trans-4-Methylcyclohexan-1-amine
OR1030606	Cis-2-Methylcyclohexan-1-ol

Catalog	Name
AP KR 0102-01	3-[dimethyl (phenyl) silyl]-3-methylcyclohexan-1-one
REA53093-01	2-Ethyl-5-methylcyclohexan-1-one
QEA68476-01	2-Ethyl-4-methylcyclohexan-1-one
RID10060-01	4- (Dimethylamino) -4-methylcyclohexan-1-one
JH498700	4-fluoro-4-methylcyclohexan-1-one
JH916303	2-Ethynyl-2-methylcyclohexan-1-one
AQ C6 0019-01	4-acetyl-4-methylcyclohexan-1-one
DAA47678-01	2-Hydroxy-2-methylcyclohexan-1-one
TRC-M336940-750MG	4-Methoxy-4-methylcyclohexan-1-one
MBA02219-01	1- (Aminomethyl) -3-methylcyclohexan-1-ol