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

C25H40 — CID 139724448

IUPAC1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene
SMILESCCCCC1CCC(CC2CCC(c3ccc(CC)cc3)CC2)CC1
InChIInChI=1S/C25H40/c1-3-5-6-21-7-9-22(10-8-21)19-23-13-17-25(18-14-23)24-15-11-20(4-2)12-16-24/h11-12,15-16,21-23,25H,3-10,13-14,17-19H2,1-2H3
InChIKeyOVZMNVFJWRHPAD-UHFFFAOYSA-N
MW340.60 g/mol
LogP7.91
Rot. Bonds7

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

1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene (PubChem CID 139724448) has the molecular formula C25H40 and a molecular weight of 340.60 g/mol. Its IUPAC name is 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene.

Molecular Properties

Compound Name1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene
PubChem CID139724448
Molecular FormulaC25H40
Molecular Weight340.60 g/mol
Exact Mass340.31
IUPAC Name1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene
SMILESCCCCC1CCC(CC2CCC(c3ccc(CC)cc3)CC2)CC1
InChIInChI=1S/C25H40/c1-3-5-6-21-7-9-22(10-8-21)19-23-13-17-25(18-14-23)24-15-11-20(4-2)12-16-24/h11-12,15-16,21-23,25H,3-10,13-14,17-19H2,1-2H3
InChIKeyOVZMNVFJWRHPAD-UHFFFAOYSA-N
XLogP7.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene
CID 139724446
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
CID 139724423
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444
1-methoxy-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene
CID 139724432
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
pentakis(4-(4-butylcyclohexyl)benzenethiol);pentahydrofluoride
CID 173376062
2-(4-ethylphenyl)-6-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837443
1-ethyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
CID 141224926
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene?
The IUPAC name of 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene (CID 139724448) is 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene.
What is the SMILES notation for 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene?
The canonical SMILES for 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene is CCCCC1CCC(CC2CCC(c3ccc(CC)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene?
The InChIKey is OVZMNVFJWRHPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40/c1-3-5-6-21-7-9-22(10-8-21)19-23-13-17-25(18-14-23)24-15-11-20(4-2)12-16-24/h11-12,15-16,21-23,25H,3-10,13-14,17-19H2,1-2H3.
What are the key properties of 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene?
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene has a molecular weight of 340.60 g/mol, XLogP of 7.91, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene is sourced from PubChem (CID 139724448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).