4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole

C24H42N6O2 — CID 118041103

IUPAC4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole
SMILESCC(C)Cc1cn(CCOCC2CCC(COCCn3cc(CC(C)C)nn3)CC2)nn1
InChIInChI=1S/C24H42N6O2/c1-19(2)13-23-15-29(27-25-23)9-11-31-17-21-5-7-22(8-6-21)18-32-12-10-30-16-24(26-28-30)14-20(3)4/h15-16,19-22H,5-14,17-18H2,1-4H3
InChIKeyOXLDSYQQEJNTNY-UHFFFAOYSA-N
MW446.64 g/mol
LogP3.81
Rot. Bonds14

About 4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole

4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole (PubChem CID 118041103) has the molecular formula C24H42N6O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole
PubChem CID118041103
Molecular FormulaC24H42N6O2
Molecular Weight446.64 g/mol
Exact Mass446.34
IUPAC Name4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole
SMILESCC(C)Cc1cn(CCOCC2CCC(COCCn3cc(CC(C)C)nn3)CC2)nn1
InChIInChI=1S/C24H42N6O2/c1-19(2)13-23-15-29(27-25-23)9-11-31-17-21-5-7-22(8-6-21)18-32-12-10-30-16-24(26-28-30)14-20(3)4/h15-16,19-22H,5-14,17-18H2,1-4H3
InChIKeyOXLDSYQQEJNTNY-UHFFFAOYSA-N
XLogP3.81
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.64
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole?
The IUPAC name of 4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole (CID 118041103) is 4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole.
What is the SMILES notation for 4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole?
The canonical SMILES for 4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole is CC(C)Cc1cn(CCOCC2CCC(COCCn3cc(CC(C)C)nn3)CC2)nn1.
What is the InChIKey of 4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole?
The InChIKey is OXLDSYQQEJNTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N6O2/c1-19(2)13-23-15-29(27-25-23)9-11-31-17-21-5-7-22(8-6-21)18-32-12-10-30-16-24(26-28-30)14-20(3)4/h15-16,19-22H,5-14,17-18H2,1-4H3.
What are the key properties of 4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole?
4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole has a molecular weight of 446.64 g/mol, XLogP of 3.81, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole is sourced from PubChem (CID 118041103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).