2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]naphthalene

C28H40 — CID 139862906

IUPAC2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]naphthalene
SMILESCCc1ccc2cc(C3CCC(CCC4CCC(CC)CC4)CC3)ccc2c1
InChIInChI=1S/C28H40/c1-3-21-5-7-23(8-6-21)9-10-24-12-14-25(15-13-24)27-18-17-26-19-22(4-2)11-16-28(26)20-27/h11,16-21,23-25H,3-10,12-15H2,1-2H3
InChIKeyPWHNARJUDIRDAV-UHFFFAOYSA-N
MW376.63 g/mol
LogP8.67
Rot. Bonds6

About 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]naphthalene

2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]naphthalene (PubChem CID 139862906) has the molecular formula C28H40 and a molecular weight of 376.63 g/mol. Its IUPAC name is 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]naphthalene.

Molecular Properties

Compound Name2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]naphthalene
PubChem CID139862906
Molecular FormulaC28H40
Molecular Weight376.63 g/mol
Exact Mass376.31
IUPAC Name2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]naphthalene
SMILESCCc1ccc2cc(C3CCC(CCC4CCC(CC)CC4)CC3)ccc2c1
InChIInChI=1S/C28H40/c1-3-21-5-7-23(8-6-21)9-10-24-12-14-25(15-13-24)27-18-17-26-19-22(4-2)11-16-28(26)20-27/h11,16-21,23-25H,3-10,12-15H2,1-2H3
InChIKeyPWHNARJUDIRDAV-UHFFFAOYSA-N
XLogP8.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-butylcyclohexyl)-6-propylnaphthalene
CID 20500444
1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 54218031
2-ethyl-6-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene
CID 139863616
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene
CID 139861782
2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene
CID 20500274
6-(4-pentylcyclohexyl)naphthalen-2-ol
CID 139850093
2-bromo-6-(4-pentylcyclohexyl)naphthalene
CID 20500242
2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139861214
4-(4-ethylcyclohexyl)-1-[2-(4-ethylphenyl)ethynyl]-2-fluorobenzene
CID 14365891
2-(4-methylcyclohexyl)-6-pentylnaphthalene
CID 20500456
5-(4-ethylcyclohexyl)-2-(4-ethylphenyl)benzenesulfonic acid
CID 89360213

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]naphthalene?
The IUPAC name of 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]naphthalene (CID 139862906) is 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]naphthalene.
What is the SMILES notation for 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]naphthalene?
The canonical SMILES for 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]naphthalene is CCc1ccc2cc(C3CCC(CCC4CCC(CC)CC4)CC3)ccc2c1.
What is the InChIKey of 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]naphthalene?
The InChIKey is PWHNARJUDIRDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40/c1-3-21-5-7-23(8-6-21)9-10-24-12-14-25(15-13-24)27-18-17-26-19-22(4-2)11-16-28(26)20-27/h11,16-21,23-25H,3-10,12-15H2,1-2H3.
What are the key properties of 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]naphthalene?
2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]naphthalene has a molecular weight of 376.63 g/mol, XLogP of 8.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]naphthalene is sourced from PubChem (CID 139862906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).