4-cyclohexyl-1-(4-ethylcyclohexyl)-1-propylcyclohexane

C23H42 — CID 173329798

IUPAC4-cyclohexyl-1-(4-ethylcyclohexyl)-1-propylcyclohexane
SMILESCCCC1(C2CCC(CC)CC2)CCC(C2CCCCC2)CC1
InChIInChI=1S/C23H42/c1-3-16-23(22-12-10-19(4-2)11-13-22)17-14-21(15-18-23)20-8-6-5-7-9-20/h19-22H,3-18H2,1-2H3
InChIKeyOLWMRHQUMGYKNX-UHFFFAOYSA-N
MW318.59 g/mol
LogP7.76
Rot. Bonds5

About 4-cyclohexyl-1-(4-ethylcyclohexyl)-1-propylcyclohexane

4-cyclohexyl-1-(4-ethylcyclohexyl)-1-propylcyclohexane (PubChem CID 173329798) has the molecular formula C23H42 and a molecular weight of 318.59 g/mol. Its IUPAC name is 4-cyclohexyl-1-(4-ethylcyclohexyl)-1-propylcyclohexane.

Molecular Properties

Compound Name4-cyclohexyl-1-(4-ethylcyclohexyl)-1-propylcyclohexane
PubChem CID173329798
Molecular FormulaC23H42
Molecular Weight318.59 g/mol
Exact Mass318.33
IUPAC Name4-cyclohexyl-1-(4-ethylcyclohexyl)-1-propylcyclohexane
SMILESCCCC1(C2CCC(CC)CC2)CCC(C2CCCCC2)CC1
InChIInChI=1S/C23H42/c1-3-16-23(22-12-10-19(4-2)11-13-22)17-14-21(15-18-23)20-8-6-5-7-9-20/h19-22H,3-18H2,1-2H3
InChIKeyOLWMRHQUMGYKNX-UHFFFAOYSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.59
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-chloro-1-cyclohexyl-1-propylcyclohexane
CID 66776581
1-butyl-1-cycloheptylcycloheptane
CID 140610618
[1-(4-ethylcyclohexyl)cyclopropyl]methanamine
CID 130515219
1-ethyl-1-(4-propylcyclohexyl)cyclohexane
CID 57009275
ethane;ethylcyclopentane;1-methyl-1-propylcyclohexane
CID 153335761
(3-ethylcyclopentyl)cyclohexane
CID 142208206
4-cyclohexyl-1-(4-heptylcyclohexyl)-4-propylcyclohexane-1-carbonitrile
CID 57025886
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
1-butyl-1-cyclohexyl-4-methylcyclohexane
CID 139676896
4-ethyl-1,7-dimethylcyclododecane
CID 123234850

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-(4-ethylcyclohexyl)-1-propylcyclohexane?
The IUPAC name of 4-cyclohexyl-1-(4-ethylcyclohexyl)-1-propylcyclohexane (CID 173329798) is 4-cyclohexyl-1-(4-ethylcyclohexyl)-1-propylcyclohexane.
What is the SMILES notation for 4-cyclohexyl-1-(4-ethylcyclohexyl)-1-propylcyclohexane?
The canonical SMILES for 4-cyclohexyl-1-(4-ethylcyclohexyl)-1-propylcyclohexane is CCCC1(C2CCC(CC)CC2)CCC(C2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexyl-1-(4-ethylcyclohexyl)-1-propylcyclohexane?
The InChIKey is OLWMRHQUMGYKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42/c1-3-16-23(22-12-10-19(4-2)11-13-22)17-14-21(15-18-23)20-8-6-5-7-9-20/h19-22H,3-18H2,1-2H3.
What are the key properties of 4-cyclohexyl-1-(4-ethylcyclohexyl)-1-propylcyclohexane?
4-cyclohexyl-1-(4-ethylcyclohexyl)-1-propylcyclohexane has a molecular weight of 318.59 g/mol, XLogP of 7.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-(4-ethylcyclohexyl)-1-propylcyclohexane is sourced from PubChem (CID 173329798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).