4-ethyl-1-[1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]oxypropan-2-yl]triazole

C18H33N3O — CID 130332799

IUPAC4-ethyl-1-[1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]oxypropan-2-yl]triazole
SMILESCCc1cn(C(C)COC(C)(C)CC2CCC(C)CC2)nn1
InChIInChI=1S/C18H33N3O/c1-6-17-12-21(20-19-17)15(3)13-22-18(4,5)11-16-9-7-14(2)8-10-16/h12,14-16H,6-11,13H2,1-5H3
InChIKeyPOMIEXLJIJGOFB-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.41
Rot. Bonds7

About 4-ethyl-1-[1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]oxypropan-2-yl]triazole

4-ethyl-1-[1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]oxypropan-2-yl]triazole (PubChem CID 130332799) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is 4-ethyl-1-[1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]oxypropan-2-yl]triazole.

Molecular Properties

Compound Name4-ethyl-1-[1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]oxypropan-2-yl]triazole
PubChem CID130332799
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name4-ethyl-1-[1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]oxypropan-2-yl]triazole
SMILESCCc1cn(C(C)COC(C)(C)CC2CCC(C)CC2)nn1
InChIInChI=1S/C18H33N3O/c1-6-17-12-21(20-19-17)15(3)13-22-18(4,5)11-16-9-7-14(2)8-10-16/h12,14-16H,6-11,13H2,1-5H3
InChIKeyPOMIEXLJIJGOFB-UHFFFAOYSA-N
XLogP4.41
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]oxypropan-2-yl]triazole?
The IUPAC name of 4-ethyl-1-[1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]oxypropan-2-yl]triazole (CID 130332799) is 4-ethyl-1-[1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]oxypropan-2-yl]triazole.
What is the SMILES notation for 4-ethyl-1-[1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]oxypropan-2-yl]triazole?
The canonical SMILES for 4-ethyl-1-[1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]oxypropan-2-yl]triazole is CCc1cn(C(C)COC(C)(C)CC2CCC(C)CC2)nn1.
What is the InChIKey of 4-ethyl-1-[1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]oxypropan-2-yl]triazole?
The InChIKey is POMIEXLJIJGOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-6-17-12-21(20-19-17)15(3)13-22-18(4,5)11-16-9-7-14(2)8-10-16/h12,14-16H,6-11,13H2,1-5H3.
What are the key properties of 4-ethyl-1-[1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]oxypropan-2-yl]triazole?
4-ethyl-1-[1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]oxypropan-2-yl]triazole has a molecular weight of 307.48 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]oxypropan-2-yl]triazole is sourced from PubChem (CID 130332799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).