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M-Dicyclohexylbenzene

CAT: 0931-T33245-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T33245-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4016-06-2
Target
Others
Related Pathways
Others
Bioactivity
M-Dicyclohexylbenzene is a bioactive chemical.
Smiles
C=1C=C(C=C(C1)C2CCCCC2)C3CCCCC3
Molecular Formula
C18H26
Molecular Weight
242.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,3-Dicyclohexylbenzene
CAS Number4016-06-2
PubChem CID12632209
IUPAC Name1,3-dicyclohexylbenzene
Molecular FormulaC18H26
Molecular Weight242.4
XLogP7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity208
SMILES
C1CCC(CC1)C2=CC(=CC=C2)C3CCCCC3
InChI
InChI=1S/C18H26/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h7,12-16H,1-6,8-11H2
InChIKey
TUWRHJHVTBVNSM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dicyclohexylbenzene
CAS: 4016-06-2
CID: 12632209
Formula: C18H26
MW: 242.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.4
XLogP37
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass242.203450829
Monoisotopic Mass242.203450829
Topological Polar Surface Area0 Ų
Heavy Atom Count18
Formal Charge0
Complexity208
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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