Cyclohexane
  • CAS Number 110-82-7
  • Catalog Number io-2065
  • Classification Hydrocarbons
  • Molecular Weight 84.1600
  • SMILES C1CCCCC1
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Cyclohexane is an alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon. It has a role as a non-polar solvent. It is a cycloalkane and a volatile organic compound.

1 CYCLOHEXANE
2 Hexamethylene
3 Hexahydrobenzene
4 Hexanaphthene
5 Cyclohexan
Molecular Formula C6H12
Canonical SMILES C1CCCCC1
Isomeric SMILES C1CCCCC1
Molecular Weight 84.1600
InChIKey XDTMQSROBMDMFD-UHFFFAOYSA-N
InChI InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
XLogP 3.4000
ExactMass 84.0939
MonoisotopicMass 84.0939
TPSA 0.0000
Complexity 15.0000
Charge 0.0000
HBondDonorCount 0
HBondAcceptorCount 0
RotatableBondCount 0
HeavyAtomCount 6
IsotopeAtomCount 0
AtomStereoCount 0
DefinedAtomStereoCount 0
UndefinedAtomStereoCount 0
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 1
PatentCount 79209
PatentFamilyCount 41148
LiteratureCount 35731