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

C28H46 — CID 19846789

IUPAC1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene
SMILESCCCCC1CCC(C(C)C2CCC(C(C)c3ccc(CC)cc3)CC2)CC1
InChIInChI=1S/C28H46/c1-5-7-8-24-11-15-26(16-12-24)22(4)28-19-17-27(18-20-28)21(3)25-13-9-23(6-2)10-14-25/h9-10,13-14,21-22,24,26-28H,5-8,11-12,15-20H2,1-4H3
InChIKeyUQSJBFFHPAVUCW-UHFFFAOYSA-N
MW382.68 g/mol
LogP8.79
Rot. Bonds8

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

1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene (PubChem CID 19846789) has the molecular formula C28H46 and a molecular weight of 382.68 g/mol. Its IUPAC name is 1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene.

Molecular Properties

Compound Name1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene
PubChem CID19846789
Molecular FormulaC28H46
Molecular Weight382.68 g/mol
Exact Mass382.36
IUPAC Name1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene
SMILESCCCCC1CCC(C(C)C2CCC(C(C)c3ccc(CC)cc3)CC2)CC1
InChIInChI=1S/C28H46/c1-5-7-8-24-11-15-26(16-12-24)22(4)28-19-17-27(18-20-28)21(3)25-13-9-23(6-2)10-14-25/h9-10,13-14,21-22,24,26-28H,5-8,11-12,15-20H2,1-4H3
InChIKeyUQSJBFFHPAVUCW-UHFFFAOYSA-N
XLogP8.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-butylcyclohexyl)-4-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 19846736
4-[1-[4-[1-(4-heptylcyclohexyl)ethyl]cyclohexyl]ethyl]phenol
CID 19846809
1-pentyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 173303525
5-[4-[1-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoropyridine
CID 19765560
2-fluoro-5-[4-[1-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 19765579
1-(4-ethylphenyl)-2,3-difluoro-4-[1-(4-octylcyclohexyl)ethyl]benzene
CID 67895843
1-isothiocyanato-4-[1-(4-pentylcyclohexyl)ethyl]benzene
CID 88597674
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene
CID 139724448
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
[(4-butylcyclohexyl)-(4-methylphenyl)methyl]hydrazine
CID 105285296
1-(4-ethylphenyl)-2-fluoro-4-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139708745
4-[1-(4-pentylcyclohexyl)ethyl]cyclohexan-1-one
CID 18964399

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene?
The IUPAC name of 1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene (CID 19846789) is 1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene.
What is the SMILES notation for 1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene?
The canonical SMILES for 1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene is CCCCC1CCC(C(C)C2CCC(C(C)c3ccc(CC)cc3)CC2)CC1.
What is the InChIKey of 1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene?
The InChIKey is UQSJBFFHPAVUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46/c1-5-7-8-24-11-15-26(16-12-24)22(4)28-19-17-27(18-20-28)21(3)25-13-9-23(6-2)10-14-25/h9-10,13-14,21-22,24,26-28H,5-8,11-12,15-20H2,1-4H3.
What are the key properties of 1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene?
1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene has a molecular weight of 382.68 g/mol, XLogP of 8.79, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[1-(4-butylcyclohexyl)ethyl]cyclohexyl]ethyl]-4-ethylbenzene is sourced from PubChem (CID 19846789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).