1-(8-ethenylpentadecan-8-yl)benzotriazole

C23H37N3 — CID 5197931

IUPAC1-(8-ethenylpentadecan-8-yl)benzotriazole
SMILESC=CC(CCCCCCC)(CCCCCCC)n1nnc2ccccc21
InChIInChI=1S/C23H37N3/c1-4-7-9-11-15-19-23(6-3,20-16-12-10-8-5-2)26-22-18-14-13-17-21(22)24-25-26/h6,13-14,17-18H,3-5,7-12,15-16,19-20H2,1-2H3
InChIKeyLTOGMAYMLUEUMW-UHFFFAOYSA-N
MW355.57 g/mol
LogP7.03
Rot. Bonds14

About 1-(8-ethenylpentadecan-8-yl)benzotriazole

1-(8-ethenylpentadecan-8-yl)benzotriazole (PubChem CID 5197931) has the molecular formula C23H37N3 and a molecular weight of 355.57 g/mol. Its IUPAC name is 1-(8-ethenylpentadecan-8-yl)benzotriazole.

Molecular Properties

Compound Name1-(8-ethenylpentadecan-8-yl)benzotriazole
PubChem CID5197931
Molecular FormulaC23H37N3
Molecular Weight355.57 g/mol
Exact Mass355.30
IUPAC Name1-(8-ethenylpentadecan-8-yl)benzotriazole
SMILESC=CC(CCCCCCC)(CCCCCCC)n1nnc2ccccc21
InChIInChI=1S/C23H37N3/c1-4-7-9-11-15-19-23(6-3,20-16-12-10-8-5-2)26-22-18-14-13-17-21(22)24-25-26/h6,13-14,17-18H,3-5,7-12,15-16,19-20H2,1-2H3
InChIKeyLTOGMAYMLUEUMW-UHFFFAOYSA-N
XLogP7.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
CID 3772019
4-butyl-1-(5-ethenylnonan-5-yl)benzotriazole
CID 5197930
2-[2-(benzotriazol-1-yl)decan-2-yl]-1,3-benzoxazole
CID 3709135
[1-(benzotriazol-1-yl)-1-phenoxybut-3-enyl]-decyl-dimethylsilane
CID 134997894
benzotriazol-1-yl-bis(4-octylphenyl)methanamine
CID 155230048
1-tridecylbenzotriazole
CID 21059042
silver 1-octylbenzotriazole
CID 19818350
1-(1-chlorododecyl)benzotriazole
CID 4561404
(E)-6-(benzotriazol-1-yl)-6-ethoxytetradec-4-en-7-one
CID 10571281
1-(2-butylsulfanylnon-1-enyl)benzotriazole
CID 3334308
1-(2-methyl-3-phenylsulfanylheptan-3-yl)benzotriazole
CID 3803458
1-(butylselanylmethyl)benzotriazole
CID 10635572

Frequently Asked Questions

What is the IUPAC name of 1-(8-ethenylpentadecan-8-yl)benzotriazole?
The IUPAC name of 1-(8-ethenylpentadecan-8-yl)benzotriazole (CID 5197931) is 1-(8-ethenylpentadecan-8-yl)benzotriazole.
What is the SMILES notation for 1-(8-ethenylpentadecan-8-yl)benzotriazole?
The canonical SMILES for 1-(8-ethenylpentadecan-8-yl)benzotriazole is C=CC(CCCCCCC)(CCCCCCC)n1nnc2ccccc21.
What is the InChIKey of 1-(8-ethenylpentadecan-8-yl)benzotriazole?
The InChIKey is LTOGMAYMLUEUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3/c1-4-7-9-11-15-19-23(6-3,20-16-12-10-8-5-2)26-22-18-14-13-17-21(22)24-25-26/h6,13-14,17-18H,3-5,7-12,15-16,19-20H2,1-2H3.
What are the key properties of 1-(8-ethenylpentadecan-8-yl)benzotriazole?
1-(8-ethenylpentadecan-8-yl)benzotriazole has a molecular weight of 355.57 g/mol, XLogP of 7.03, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-ethenylpentadecan-8-yl)benzotriazole is sourced from PubChem (CID 5197931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).