acetonitrile;cyclohexylbenzene

C14H19N — CID 141289539

IUPACacetonitrile;cyclohexylbenzene
SMILESCC#N.c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C12H16.C2H3N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3/h1,3-4,7-8,12H,2,5-6,9-10H2;1H3
InChIKeyAKRASBZCOZTZIF-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.26
Rot. Bonds1

About acetonitrile;cyclohexylbenzene

acetonitrile;cyclohexylbenzene (PubChem CID 141289539) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is acetonitrile;cyclohexylbenzene.

Molecular Properties

Compound Nameacetonitrile;cyclohexylbenzene
PubChem CID141289539
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Nameacetonitrile;cyclohexylbenzene
SMILESCC#N.c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C12H16.C2H3N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3/h1,3-4,7-8,12H,2,5-6,9-10H2;1H3
InChIKeyAKRASBZCOZTZIF-UHFFFAOYSA-N
XLogP4.26
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
CID 159076923
CID 159076923
cyclopentylbenzene;iron
CID 158512704
1,1'-biphenyl;cyclohexylbenzene
CID 141106050
tert-butylbenzene;cyclohexylbenzene
CID 158089404
cyclohexylbenzene;1,4-diethylbenzene
CID 174429743
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711
benzene;cyclopropylbenzene
CID 144638417
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
4-phenylazocane
CID 19847318
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
2-phenylcycloheptane-1-carbonitrile
CID 82241213

Frequently Asked Questions

What is the IUPAC name of acetonitrile;cyclohexylbenzene?
The IUPAC name of acetonitrile;cyclohexylbenzene (CID 141289539) is acetonitrile;cyclohexylbenzene.
What is the SMILES notation for acetonitrile;cyclohexylbenzene?
The canonical SMILES for acetonitrile;cyclohexylbenzene is CC#N.c1ccc(C2CCCCC2)cc1.
What is the InChIKey of acetonitrile;cyclohexylbenzene?
The InChIKey is AKRASBZCOZTZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C2H3N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3/h1,3-4,7-8,12H,2,5-6,9-10H2;1H3.
What are the key properties of acetonitrile;cyclohexylbenzene?
acetonitrile;cyclohexylbenzene has a molecular weight of 201.31 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;cyclohexylbenzene is sourced from PubChem (CID 141289539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).