benzene;cyclohexylcyclohexane

C18H28 — CID 160520949

IUPACbenzene;cyclohexylcyclohexane
SMILESC1CCC(C2CCCCC2)CC1.c1ccccc1
InChIInChI=1S/C12H22.C6H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1/h11-12H,1-10H2;1-6H
InChIKeyQUGIQGHHMKMAFN-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.83
Rot. Bonds1

About benzene;cyclohexylcyclohexane

benzene;cyclohexylcyclohexane (PubChem CID 160520949) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is benzene;cyclohexylcyclohexane.

Molecular Properties

Compound Namebenzene;cyclohexylcyclohexane
PubChem CID160520949
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Namebenzene;cyclohexylcyclohexane
SMILESC1CCC(C2CCCCC2)CC1.c1ccccc1
InChIInChI=1S/C12H22.C6H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1/h11-12H,1-10H2;1-6H
InChIKeyQUGIQGHHMKMAFN-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
azane;cyclohexylcyclohexane
CID 66583255
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
tricyclo[11.9.0.05,8]docosane
CID 123241919
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
CID 123895586
1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene;biphenylene
CID 161014557

Frequently Asked Questions

What is the IUPAC name of benzene;cyclohexylcyclohexane?
The IUPAC name of benzene;cyclohexylcyclohexane (CID 160520949) is benzene;cyclohexylcyclohexane.
What is the SMILES notation for benzene;cyclohexylcyclohexane?
The canonical SMILES for benzene;cyclohexylcyclohexane is C1CCC(C2CCCCC2)CC1.c1ccccc1.
What is the InChIKey of benzene;cyclohexylcyclohexane?
The InChIKey is QUGIQGHHMKMAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22.C6H6/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-4-6-5-3-1/h11-12H,1-10H2;1-6H.
What are the key properties of benzene;cyclohexylcyclohexane?
benzene;cyclohexylcyclohexane has a molecular weight of 244.42 g/mol, XLogP of 5.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclohexylcyclohexane is sourced from PubChem (CID 160520949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).