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1-Cyclohexyl-2,4,5-trimethylbenzene

HCID 608752
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(C)c(C2CCCCC2)cc1C
InChIKey
KHRRHQOUDGDZIC-UHFFFAOYSA-N
Molecular formula
C15H22
Average molar mass
202.33 g/mol
Monoisotopic mass
202.1721507

Names & identifiers

Preferred name
1-Cyclohexyl-2,4,5-trimethylbenzene
IUPAC
1-cyclohexyl-2,4,5-trimethylbenzene

Names & synonyms

1-Cyclohexyl-2,4,5-trimethylbenzeneSCHEMBL87358251,3.4-Trimethyl-6-cyclohexylbenzene5-cyclohexyl-1,2,4-trimethylbenzene1-Cyclohexyl-2,4,5-trimethylbenzene #

Database identifiers

PubChem CID
608752

Properties

Computed structural propertiesFilling in

XLogP
5.6
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
190

Related reactions

2 records
New reaction record
HRID 52766 reaction equation
HRID 52766As reactantuspto-grants-1997_04
HRID 1570375 reaction equation
HRID 1570375As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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