1-(4-ethoxy-1-phenylnon-5-en-4-yl)benzotriazole

C23H29N3O — CID 3849071

IUPAC1-(4-ethoxy-1-phenylnon-5-en-4-yl)benzotriazole
SMILESCCCC=CC(CCCc1ccccc1)(OCC)n1nnc2ccccc21
InChIInChI=1S/C23H29N3O/c1-3-5-11-18-23(27-4-2,19-12-15-20-13-7-6-8-14-20)26-22-17-10-9-16-21(22)24-25-26/h6-11,13-14,16-18H,3-5,12,15,19H2,1-2H3
InChIKeyNULLVMOAZMTWJS-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.50
Rot. Bonds10

About 1-(4-ethoxy-1-phenylnon-5-en-4-yl)benzotriazole

1-(4-ethoxy-1-phenylnon-5-en-4-yl)benzotriazole (PubChem CID 3849071) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-(4-ethoxy-1-phenylnon-5-en-4-yl)benzotriazole.

Molecular Properties

Compound Name1-(4-ethoxy-1-phenylnon-5-en-4-yl)benzotriazole
PubChem CID3849071
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name1-(4-ethoxy-1-phenylnon-5-en-4-yl)benzotriazole
SMILESCCCC=CC(CCCc1ccccc1)(OCC)n1nnc2ccccc21
InChIInChI=1S/C23H29N3O/c1-3-5-11-18-23(27-4-2,19-12-15-20-13-7-6-8-14-20)26-22-17-10-9-16-21(22)24-25-26/h6-11,13-14,16-18H,3-5,12,15,19H2,1-2H3
InChIKeyNULLVMOAZMTWJS-UHFFFAOYSA-N
XLogP5.50
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[8-(benzotriazol-1-yl)-3,8-diethoxydeca-1,9-dien-3-yl]benzotriazole
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CID 10571281
1-(8-ethenylpentadecan-8-yl)benzotriazole
CID 5197931
1-[(E)-5-ethoxy-1-phenylnon-1-en-3-yn-5-yl]benzotriazole
CID 10498683
benzotriazol-1-yl-bis(4-octylphenyl)methanamine
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lithium 1-(1-ethoxyprop-2-enyl)benzotriazole
CID 10262493
[5-(benzotriazol-1-yl)-5-ethoxy-7-(4-methylphenyl)hept-1-en-2-yl]oxy-trimethylsilane
CID 10694285
1-(1-phenyl-2-phenylsulfanylpentan-2-yl)benzotriazole
CID 4258067
2-(benzotriazol-1-yl)-2-methylpentanoic acid
CID 114993659
1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole
CID 10708118
1,1-diethoxyhex-2-enyl(triphenyl)phosphanium
CID 175489765
N,N-bis(benzotriazol-1-ylmethyl)-3-phenylpropan-1-amine
CID 3742816

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-1-phenylnon-5-en-4-yl)benzotriazole?
The IUPAC name of 1-(4-ethoxy-1-phenylnon-5-en-4-yl)benzotriazole (CID 3849071) is 1-(4-ethoxy-1-phenylnon-5-en-4-yl)benzotriazole.
What is the SMILES notation for 1-(4-ethoxy-1-phenylnon-5-en-4-yl)benzotriazole?
The canonical SMILES for 1-(4-ethoxy-1-phenylnon-5-en-4-yl)benzotriazole is CCCC=CC(CCCc1ccccc1)(OCC)n1nnc2ccccc21.
What is the InChIKey of 1-(4-ethoxy-1-phenylnon-5-en-4-yl)benzotriazole?
The InChIKey is NULLVMOAZMTWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-3-5-11-18-23(27-4-2,19-12-15-20-13-7-6-8-14-20)26-22-17-10-9-16-21(22)24-25-26/h6-11,13-14,16-18H,3-5,12,15,19H2,1-2H3.
What are the key properties of 1-(4-ethoxy-1-phenylnon-5-en-4-yl)benzotriazole?
1-(4-ethoxy-1-phenylnon-5-en-4-yl)benzotriazole has a molecular weight of 363.50 g/mol, XLogP of 5.50, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-1-phenylnon-5-en-4-yl)benzotriazole is sourced from PubChem (CID 3849071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).