4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole

C15H29N3O2 — CID 164700684

IUPAC4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole
SMILESCC(C)(C)Cc1cn(CCOCCOC(C)(C)C)nn1
InChIInChI=1S/C15H29N3O2/c1-14(2,3)11-13-12-18(17-16-13)7-8-19-9-10-20-15(4,5)6/h12H,7-11H2,1-6H3
InChIKeyAKEHMQYYCLREPN-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.70
Rot. Bonds7

About 4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole

4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole (PubChem CID 164700684) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole
PubChem CID164700684
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole
SMILESCC(C)(C)Cc1cn(CCOCCOC(C)(C)C)nn1
InChIInChI=1S/C15H29N3O2/c1-14(2,3)11-13-12-18(17-16-13)7-8-19-9-10-20-15(4,5)6/h12H,7-11H2,1-6H3
InChIKeyAKEHMQYYCLREPN-UHFFFAOYSA-N
XLogP2.70
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole (CID 164700684) is 4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole is CC(C)(C)Cc1cn(CCOCCOC(C)(C)C)nn1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole?
The InChIKey is AKEHMQYYCLREPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-14(2,3)11-13-12-18(17-16-13)7-8-19-9-10-20-15(4,5)6/h12H,7-11H2,1-6H3.
What are the key properties of 4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole?
4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole has a molecular weight of 283.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole is sourced from PubChem (CID 164700684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).