2-dodecylbenzotriazole

C18H29N3 — CID 18949493

IUPAC2-dodecylbenzotriazole
SMILESCCCCCCCCCCCCn1nc2ccccc2n1
InChIInChI=1S/C18H29N3/c1-2-3-4-5-6-7-8-9-10-13-16-21-19-17-14-11-12-15-18(17)20-21/h11-12,14-15H,2-10,13,16H2,1H3
InChIKeyGZUJVYIVNFYWSU-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.35
Rot. Bonds11

About 2-dodecylbenzotriazole

2-dodecylbenzotriazole (PubChem CID 18949493) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-dodecylbenzotriazole.

Molecular Properties

Compound Name2-dodecylbenzotriazole
PubChem CID18949493
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-dodecylbenzotriazole
SMILESCCCCCCCCCCCCn1nc2ccccc2n1
InChIInChI=1S/C18H29N3/c1-2-3-4-5-6-7-8-9-10-13-16-21-19-17-14-11-12-15-18(17)20-21/h11-12,14-15H,2-10,13,16H2,1H3
InChIKeyGZUJVYIVNFYWSU-UHFFFAOYSA-N
XLogP5.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-dodecylbenzotriazole?
The IUPAC name of 2-dodecylbenzotriazole (CID 18949493) is 2-dodecylbenzotriazole.
What is the SMILES notation for 2-dodecylbenzotriazole?
The canonical SMILES for 2-dodecylbenzotriazole is CCCCCCCCCCCCn1nc2ccccc2n1.
What is the InChIKey of 2-dodecylbenzotriazole?
The InChIKey is GZUJVYIVNFYWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-2-3-4-5-6-7-8-9-10-13-16-21-19-17-14-11-12-15-18(17)20-21/h11-12,14-15H,2-10,13,16H2,1H3.
What are the key properties of 2-dodecylbenzotriazole?
2-dodecylbenzotriazole has a molecular weight of 287.45 g/mol, XLogP of 5.35, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecylbenzotriazole is sourced from PubChem (CID 18949493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).