1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene

C36H60 — CID 19846736

IUPAC1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
SMILESCCCCC1CCC(c2ccc(C(C)C3CCC(C(C)C4CCC(CCCC)CC4)CC3)cc2)CC1
InChIInChI=1S/C36H60/c1-5-7-9-29-11-15-31(16-12-29)27(3)32-19-21-33(22-20-32)28(4)34-23-25-36(26-24-34)35-17-13-30(14-18-35)10-8-6-2/h23-33,35H,5-22H2,1-4H3
InChIKeyOHKKKYIVLZALFW-UHFFFAOYSA-N
MW492.88 g/mol
LogP11.69
Rot. Bonds11

About 1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene

1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene (PubChem CID 19846736) has the molecular formula C36H60 and a molecular weight of 492.88 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
PubChem CID19846736
Molecular FormulaC36H60
Molecular Weight492.88 g/mol
Exact Mass492.47
IUPAC Name1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
SMILESCCCCC1CCC(c2ccc(C(C)C3CCC(C(C)C4CCC(CCCC)CC4)CC3)cc2)CC1
InChIInChI=1S/C36H60/c1-5-7-9-29-11-15-31(16-12-29)27(3)32-19-21-33(22-20-32)28(4)34-23-25-36(26-24-34)35-17-13-30(14-18-35)10-8-6-2/h23-33,35H,5-22H2,1-4H3
InChIKeyOHKKKYIVLZALFW-UHFFFAOYSA-N
XLogP11.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.88
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene
CID 19846789
4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol
CID 19846809
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-[4-(2-methylbutyl)cyclohexyl]-4-(4-octylcyclohexyl)benzene
CID 20538355
pentakis(4-(4-butylcyclohexyl)benzenethiol);pentahydrofluoride
CID 173376062
5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine
CID 19765560
tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)
CID 158284409

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene?
The IUPAC name of 1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene (CID 19846736) is 1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene?
The canonical SMILES for 1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene is CCCCC1CCC(c2ccc(C(C)C3CCC(C(C)C4CCC(CCCC)CC4)CC3)cc2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene?
The InChIKey is OHKKKYIVLZALFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H60/c1-5-7-9-29-11-15-31(16-12-29)27(3)32-19-21-33(22-20-32)28(4)34-23-25-36(26-24-34)35-17-13-30(14-18-35)10-8-6-2/h23-33,35H,5-22H2,1-4H3.
What are the key properties of 1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene?
1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene has a molecular weight of 492.88 g/mol, XLogP of 11.69, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene is sourced from PubChem (CID 19846736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).