1-(1-ethoxyoctyl)benzotriazole

C16H25N3O — CID 169096001

IUPAC1-(1-ethoxyoctyl)benzotriazole
SMILESCCCCCCCC(OCC)n1nnc2ccccc21
InChIInChI=1S/C16H25N3O/c1-3-5-6-7-8-13-16(20-4-2)19-15-12-10-9-11-14(15)17-18-19/h9-12,16H,3-8,13H2,1-2H3
InChIKeyUXABMEDQHNRGLW-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.33
Rot. Bonds9

About 1-(1-ethoxyoctyl)benzotriazole

1-(1-ethoxyoctyl)benzotriazole (PubChem CID 169096001) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(1-ethoxyoctyl)benzotriazole.

Molecular Properties

Compound Name1-(1-ethoxyoctyl)benzotriazole
PubChem CID169096001
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(1-ethoxyoctyl)benzotriazole
SMILESCCCCCCCC(OCC)n1nnc2ccccc21
InChIInChI=1S/C16H25N3O/c1-3-5-6-7-8-13-16(20-4-2)19-15-12-10-9-11-14(15)17-18-19/h9-12,16H,3-8,13H2,1-2H3
InChIKeyUXABMEDQHNRGLW-UHFFFAOYSA-N
XLogP4.33
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-phenoxyhexyl)benzotriazole
CID 3453762
1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole
CID 3768632
1-(1-chlorododecyl)benzotriazole
CID 4561404
1-octan-3-ylbenzotriazole;hydrobromide
CID 174928412
1-[(1S)-1-ethoxyprop-2-ynyl]benzotriazole
CID 40527015
1-(1,3-dioctoxyhex-5-enyl)benzotriazole
CID 3841171
1-[1-(1-methylpyrrol-3-yl)nonyl]benzotriazole
CID 4610097
ethyl 2-(benzotriazol-1-yl)-2-ethoxyacetate
CID 3719273
N-[1-(benzotriazol-1-yl)ethyl]-N-dodecyldodecan-1-amine
CID 67608822
1-(1-methylsulfanylpentyl)benzotriazole
CID 3754515
1-[3-(benzotriazol-1-yl)-1,3-dimethoxypropyl]benzotriazole
CID 3427901
2-[1-(benzotriazol-1-yl)nonyl]-1,3-benzoxazole
CID 3709134

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyoctyl)benzotriazole?
The IUPAC name of 1-(1-ethoxyoctyl)benzotriazole (CID 169096001) is 1-(1-ethoxyoctyl)benzotriazole.
What is the SMILES notation for 1-(1-ethoxyoctyl)benzotriazole?
The canonical SMILES for 1-(1-ethoxyoctyl)benzotriazole is CCCCCCCC(OCC)n1nnc2ccccc21.
What is the InChIKey of 1-(1-ethoxyoctyl)benzotriazole?
The InChIKey is UXABMEDQHNRGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-5-6-7-8-13-16(20-4-2)19-15-12-10-9-11-14(15)17-18-19/h9-12,16H,3-8,13H2,1-2H3.
What are the key properties of 1-(1-ethoxyoctyl)benzotriazole?
1-(1-ethoxyoctyl)benzotriazole has a molecular weight of 275.40 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyoctyl)benzotriazole is sourced from PubChem (CID 169096001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).