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Cis-1,4-Dimethylcyclohexane

CAT: 0024-sc-239558Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-239558Size:25 g
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CAS Number
624-29-3

Chemical Information

1,4-Dimethylcyclohexane

1,4-dimethylcyclohexane is a cycloalkane that is cyclohexane substituted by a methyl group at positions 1 and 4. It has a role as a plant metabolite and a human metabolite. It derives from a hydride of a cyclohexane.

CAS Number624-29-3
PubChem CID11523
IUPAC Name1,4-dimethylcyclohexane
Molecular FormulaC8H16
Molecular Weight112.21
XLogP3.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity48
SMILES
CC1CCC(CC1)C
InChI
InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3
InChIKey
QRMPKOFEUHIBNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Dimethylcyclohexane
CAS: 624-29-3
CID: 11523
Formula: C8H16
MW: 112.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.21
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass112.125200510
Monoisotopic Mass112.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity48.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-2230521,4-Dimethylcyclohexane, mixture of cis and trans
sc-227656Cis-1,2-Dimethylcyclohexane
sc-239557Cis-1,3-Dimethylcyclohexane
sc-2229771,3-Dimethylcyclohexane, mixture of cis and trans
sc-229481Trans-1,4-Dimethylcyclohexane
sc-2248431,1-Dimethylcyclohexane
sc-2376831,2-Dimethylcyclohexane
sc-250675Perfluoro-1,3-dimethylcyclohexane
sc-484929Trans-1,3-Dimethylcyclohexane
sc-236335Perfluoro-1,2-dimethylcyclohexane

Alternative Products

CatalogName
OR1044098-01Cis-1,4-Dimethylcyclohexane
D39010-01Cis-1,4-Dimethylcyclohexane 99%
AR-C08597-01Cis-1,4-Dimethylcyclohexane-1,4-diol
OR1044149-01Cis-1,2-dimethylcyclohexane
OR1078836-011,4-Dimethylcyclohexane (cis- and trans- mixture)
OR1044093-01Cis-1,3-Dimethylcyclohexane
D38980-01Cis-1,3-Dimethylcyclohexane 98%
D38950-01Cis-1,2-Dimethylcyclohexane 99%
OR1078833-011,2-Dimethylcyclohexane (cis- and trans- mixture)
OR1078296-011,3-Dimethylcyclohexane (cis- and trans- mixture)

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