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Methylcyclohexane

CAT: 1299-RM-M700100-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M700100-04Size:100 mg
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CAS Number
108-87-2
Synonyms
Hexahydrotoluene
Molecular Formula
C7H14
Molecular Weight
98.19
Target Alternative Name
Cyclohexane
Product Name Synonym
Hexahydrotoluene

Chemical Information

Methylcyclohexane

Methylcyclohexane is a cycloalkane that is cyclohexane substituted by a single methyl group. It has a role as an aprotic solvent, a plant metabolite and a human metabolite. It is a volatile organic compound and a cycloalkane. It derives from a hydride of a cyclohexane.

CAS Number108-87-2
PubChem CID7962
IUPAC Namemethylcyclohexane
Molecular FormulaC7H14
Molecular Weight98.19
XLogP3.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity42
SMILES
CC1CCCCC1
InChI
InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKey
UAEPNZWRGJTJPN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methylcyclohexane
CAS: 108-87-2
CID: 7962
Formula: C7H14
MW: 98.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight98.19
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass98.109550447
Monoisotopic Mass98.109550447
Topological Polar Surface Area0 Ų
Heavy Atom Count7
Formal Charge0
Complexity42
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

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sc-224095Methylcyclohexane-d14
M14840-01Methylcyclohexane 99%
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