cyclohexylbenzene;1,4-diethylbenzene

C22H30 — CID 174429743

IUPACcyclohexylbenzene;1,4-diethylbenzene
SMILESCCc1ccc(CC)cc1.c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C12H16.C10H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-9-5-7-10(4-2)8-6-9/h1,3-4,7-8,12H,2,5-6,9-10H2;5-8H,3-4H2,1-2H3
InChIKeyVIRABTSVHGKULA-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.55
Rot. Bonds3

About cyclohexylbenzene;1,4-diethylbenzene

cyclohexylbenzene;1,4-diethylbenzene (PubChem CID 174429743) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is cyclohexylbenzene;1,4-diethylbenzene.

Molecular Properties

Compound Namecyclohexylbenzene;1,4-diethylbenzene
PubChem CID174429743
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Namecyclohexylbenzene;1,4-diethylbenzene
SMILESCCc1ccc(CC)cc1.c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C12H16.C10H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-9-5-7-10(4-2)8-6-9/h1,3-4,7-8,12H,2,5-6,9-10H2;5-8H,3-4H2,1-2H3
InChIKeyVIRABTSVHGKULA-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 159076923
CID 159076923
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acetonitrile;cyclohexylbenzene
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1-cyclopropyl-4-ethylbenzene;ethane;methane
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CID 142052735
tert-butylbenzene;cyclohexylbenzene
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3-(4-ethylphenyl)azepane
CID 83819662
1-ethyl-4-(4-phenylsulfanylcyclohexyl)benzene
CID 19992933
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711
4-ethyl-N-[4-[1-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]-4-phenylcyclohexyl]phenyl]-N-(4-ethylphenyl)aniline
CID 175703232

Frequently Asked Questions

What is the IUPAC name of cyclohexylbenzene;1,4-diethylbenzene?
The IUPAC name of cyclohexylbenzene;1,4-diethylbenzene (CID 174429743) is cyclohexylbenzene;1,4-diethylbenzene.
What is the SMILES notation for cyclohexylbenzene;1,4-diethylbenzene?
The canonical SMILES for cyclohexylbenzene;1,4-diethylbenzene is CCc1ccc(CC)cc1.c1ccc(C2CCCCC2)cc1.
What is the InChIKey of cyclohexylbenzene;1,4-diethylbenzene?
The InChIKey is VIRABTSVHGKULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C10H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-9-5-7-10(4-2)8-6-9/h1,3-4,7-8,12H,2,5-6,9-10H2;5-8H,3-4H2,1-2H3.
What are the key properties of cyclohexylbenzene;1,4-diethylbenzene?
cyclohexylbenzene;1,4-diethylbenzene has a molecular weight of 294.48 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylbenzene;1,4-diethylbenzene is sourced from PubChem (CID 174429743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).