1-ethyl-4-[2-[3-[2-(4-ethylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane

C24H46O2 — CID 18606923

IUPAC1-ethyl-4-[2-[3-[2-(4-ethylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane
SMILESCCC1CCC(CCOC(C)C(C)OCCC2CCC(CC)CC2)CC1
InChIInChI=1S/C24H46O2/c1-5-21-7-11-23(12-8-21)15-17-25-19(3)20(4)26-18-16-24-13-9-22(6-2)10-14-24/h19-24H,5-18H2,1-4H3
InChIKeyORPQNYUNUMLICI-UHFFFAOYSA-N
MW366.63 g/mol
LogP7.01
Rot. Bonds11

About 1-ethyl-4-[2-[3-[2-(4-ethylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane

1-ethyl-4-[2-[3-[2-(4-ethylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane (PubChem CID 18606923) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is 1-ethyl-4-[2-[3-[2-(4-ethylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[2-[3-[2-(4-ethylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane
PubChem CID18606923
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name1-ethyl-4-[2-[3-[2-(4-ethylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane
SMILESCCC1CCC(CCOC(C)C(C)OCCC2CCC(CC)CC2)CC1
InChIInChI=1S/C24H46O2/c1-5-21-7-11-23(12-8-21)15-17-25-19(3)20(4)26-18-16-24-13-9-22(6-2)10-14-24/h19-24H,5-18H2,1-4H3
InChIKeyORPQNYUNUMLICI-UHFFFAOYSA-N
XLogP7.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-[3-[2-(4-ethylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[2-[3-[2-(4-ethylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane (CID 18606923) is 1-ethyl-4-[2-[3-[2-(4-ethylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[2-[3-[2-(4-ethylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[2-[3-[2-(4-ethylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane is CCC1CCC(CCOC(C)C(C)OCCC2CCC(CC)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[2-[3-[2-(4-ethylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane?
The InChIKey is ORPQNYUNUMLICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2/c1-5-21-7-11-23(12-8-21)15-17-25-19(3)20(4)26-18-16-24-13-9-22(6-2)10-14-24/h19-24H,5-18H2,1-4H3.
What are the key properties of 1-ethyl-4-[2-[3-[2-(4-ethylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane?
1-ethyl-4-[2-[3-[2-(4-ethylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane has a molecular weight of 366.63 g/mol, XLogP of 7.01, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-[3-[2-(4-ethylcyclohexyl)ethoxy]butan-2-yloxy]ethyl]cyclohexane is sourced from PubChem (CID 18606923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).