1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene

C32H52 — CID 54218031

IUPAC1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
SMILESCCC1CCC(CCC2CCC(CCc3ccc(C4CCC(CC)CC4)cc3)CC2)CC1
InChIInChI=1S/C32H52/c1-3-25-5-7-27(8-6-25)9-10-28-11-13-29(14-12-28)15-16-30-19-23-32(24-20-30)31-21-17-26(4-2)18-22-31/h19-20,23-29,31H,3-18,21-22H2,1-2H3
InChIKeyQAOFLNKCBJXRFO-UHFFFAOYSA-N
MW436.77 g/mol
LogP10.11
Rot. Bonds9

About 1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene

1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene (PubChem CID 54218031) has the molecular formula C32H52 and a molecular weight of 436.77 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
PubChem CID54218031
Molecular FormulaC32H52
Molecular Weight436.77 g/mol
Exact Mass436.41
IUPAC Name1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
SMILESCCC1CCC(CCC2CCC(CCc3ccc(C4CCC(CC)CC4)cc3)CC2)CC1
InChIInChI=1S/C32H52/c1-3-25-5-7-27(8-6-25)9-10-28-11-13-29(14-12-28)15-16-30-19-23-32(24-20-30)31-21-17-26(4-2)18-22-31/h19-20,23-29,31H,3-18,21-22H2,1-2H3
InChIKeyQAOFLNKCBJXRFO-UHFFFAOYSA-N
XLogP10.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.77
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
1-[2-(4-ethylcyclohex-3-en-1-yl)ethyl]-4-(4-ethylcyclohexyl)benzene
CID 139648653
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
CID 67980435
4-[2-[4-(4-propylphenyl)cyclohexyl]ethyl]benzonitrile
CID 67894424
2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]naphthalene
CID 139862906
1-(4,4-difluorobut-3-enyl)-4-(4-ethylcyclohexyl)benzene;1-(4,4-difluorobut-3-enyl)-4-(4-propylcyclohexyl)benzene
CID 163696676
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 139748649

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene (CID 54218031) is 1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene is CCC1CCC(CCC2CCC(CCc3ccc(C4CCC(CC)CC4)cc3)CC2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene?
The InChIKey is QAOFLNKCBJXRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52/c1-3-25-5-7-27(8-6-25)9-10-28-11-13-29(14-12-28)15-16-30-19-23-32(24-20-30)31-21-17-26(4-2)18-22-31/h19-20,23-29,31H,3-18,21-22H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene?
1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene has a molecular weight of 436.77 g/mol, XLogP of 10.11, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene is sourced from PubChem (CID 54218031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).