1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane

C25H46 — CID 70430254

IUPAC1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
SMILESCCCC1CCC(CCC2CCC(CCC3CCCCC3)CC2)CC1
InChIInChI=1S/C25H46/c1-2-6-21-9-12-23(13-10-21)15-18-25-19-16-24(17-20-25)14-11-22-7-4-3-5-8-22/h21-25H,2-20H2,1H3
InChIKeyFCNJMLUDQFJCKI-UHFFFAOYSA-N
MW346.64 g/mol
LogP8.54
Rot. Bonds8

About 1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane

1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane (PubChem CID 70430254) has the molecular formula C25H46 and a molecular weight of 346.64 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
PubChem CID70430254
Molecular FormulaC25H46
Molecular Weight346.64 g/mol
Exact Mass346.36
IUPAC Name1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
SMILESCCCC1CCC(CCC2CCC(CCC3CCCCC3)CC2)CC1
InChIInChI=1S/C25H46/c1-2-6-21-9-12-23(13-10-21)15-18-25-19-16-24(17-20-25)14-11-22-7-4-3-5-8-22/h21-25H,2-20H2,1H3
InChIKeyFCNJMLUDQFJCKI-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.64
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

propylcyclotetradecane
CID 90991550
1-butyl-4-propylcyclononane
CID 123467552
1-cyclohexyl-6-propylcyclodecane
CID 58552139
formaldehyde;propylcyclohexane
CID 174845889
formonitrile;propylcyclohexane
CID 174902049
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane
CID 123786912
ethane;propane;propylcyclopropane
CID 145406182
1-methyl-5-propylcyclononane
CID 54361658
1-methyl-4-propylcycloheptane
CID 90967653
2-cyclopentyl-1-(4-propylcyclohexyl)ethanamine
CID 65424909
hydrazine;propylcyclobutane;hydrochloride
CID 18995287

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane?
The IUPAC name of 1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane (CID 70430254) is 1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane.
What is the SMILES notation for 1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane?
The canonical SMILES for 1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane is CCCC1CCC(CCC2CCC(CCC3CCCCC3)CC2)CC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane?
The InChIKey is FCNJMLUDQFJCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46/c1-2-6-21-9-12-23(13-10-21)15-18-25-19-16-24(17-20-25)14-11-22-7-4-3-5-8-22/h21-25H,2-20H2,1H3.
What are the key properties of 1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane?
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane has a molecular weight of 346.64 g/mol, XLogP of 8.54, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane is sourced from PubChem (CID 70430254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).