4-Methylcyclohexene

CAT: 0127-OR1043766-02Size: 50 gDry Ice: NoHazardous: No

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CAT#:0127-OR1043766-02Size:50 g

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CAS Number

591-47-9

Purity

99%

Chemical Information

4-Methylcyclohexene

4-methylcyclohexene has been reported in Chrysanthemum morifolium and Oryza sativa with data available.

CAS Number	591-47-9
PubChem CID	11572
IUPAC Name	4-methylcyclohexene
Molecular Formula	C7H12
Molecular Weight	96.17
XLogP	2.7
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	72

SMILES

CC1CCC=CC1

InChI

InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3

InChIKey

FSWCCQWDVGZMRD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 591-47-9

CID: 11572

Formula: C7H12

MW: 96.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	96.17
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	96.093900383
Monoisotopic Mass	96.093900383
Topological Polar Surface Area	0 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	72.1
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
OR1102939-01	3-Methylcyclohexene-boronic Acid Pinacol Ester (isomers mixture)
OR1070485-01	1-MEthoxy-4-methylcyclohexane
OR470766	1- (Chloromethyl) -4-methylcyclohexane
OR1059755-01	1-Ethyl-4-methylcyclohexane
OR322145-01	1-Bromo-4-methylcyclohexane
OR5041-01	4-Methylcyclohexan-1-one
OR18852-01	4- (Methoxycarbonyl) -4-methylcyclohexane-1-carboxylic acid
OR1070720-01	4-Methylcyclohexane-1-sulfonyl chloride
OR302263-01	N1-Methylcyclohexane-1,4-diamine
OR1052356-01	4-Methylcyclohexane-1-carbonyl chloride

Catalog	Name
HY-W004338-01	1-Methylcyclohexene
M15025-01	2-Methylcyclohexene 95%
sc-279439	Methylcyclohexene-1,2-dicarboxylic anhydride
FI146812	(3S,6R) -3-Isopropyl-6-methylcyclohexene
HY-W099255-01	Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
25725310-01	4,4'-Sulfonyldiphenol (4,4'-Dihydroxydiphenylsulfone)
JXB85075-01	4,4,4-Trifluorobutanethioamide
433631-01	4,4',4''-Methanetriyltrianiline
sc-262190	4,4,4-Trifluorobutyraldehyde
sc-476168	4,4',4''-Trihydroxytriphenylmethane