tert-butylbenzene;cyclohexylbenzene

C22H30 — CID 158089404

IUPACtert-butylbenzene;cyclohexylbenzene
SMILESCC(C)(C)c1ccccc1.c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C12H16.C10H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-10(2,3)9-7-5-4-6-8-9/h1,3-4,7-8,12H,2,5-6,9-10H2;4-8H,1-3H3
InChIKeyFNXJQUGWSKFPAJ-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.72
Rot. Bonds1

About tert-butylbenzene;cyclohexylbenzene

tert-butylbenzene;cyclohexylbenzene (PubChem CID 158089404) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is tert-butylbenzene;cyclohexylbenzene.

Molecular Properties

Compound Nametert-butylbenzene;cyclohexylbenzene
PubChem CID158089404
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Nametert-butylbenzene;cyclohexylbenzene
SMILESCC(C)(C)c1ccccc1.c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C12H16.C10H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-10(2,3)9-7-5-4-6-8-9/h1,3-4,7-8,12H,2,5-6,9-10H2;4-8H,1-3H3
InChIKeyFNXJQUGWSKFPAJ-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;cyclohexylbenzene?
The IUPAC name of tert-butylbenzene;cyclohexylbenzene (CID 158089404) is tert-butylbenzene;cyclohexylbenzene.
What is the SMILES notation for tert-butylbenzene;cyclohexylbenzene?
The canonical SMILES for tert-butylbenzene;cyclohexylbenzene is CC(C)(C)c1ccccc1.c1ccc(C2CCCCC2)cc1.
What is the InChIKey of tert-butylbenzene;cyclohexylbenzene?
The InChIKey is FNXJQUGWSKFPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C10H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-10(2,3)9-7-5-4-6-8-9/h1,3-4,7-8,12H,2,5-6,9-10H2;4-8H,1-3H3.
What are the key properties of tert-butylbenzene;cyclohexylbenzene?
tert-butylbenzene;cyclohexylbenzene has a molecular weight of 294.48 g/mol, XLogP of 6.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;cyclohexylbenzene is sourced from PubChem (CID 158089404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).