2-(2,2,5,5-tetramethylhexan-3-yl)benzotriazole

C16H25N3 — CID 143732775

IUPAC2-(2,2,5,5-tetramethylhexan-3-yl)benzotriazole
SMILESCC(C)(C)CC(n1nc2ccccc2n1)C(C)(C)C
InChIInChI=1S/C16H25N3/c1-15(2,3)11-14(16(4,5)6)19-17-12-9-7-8-10-13(12)18-19/h7-10,14H,11H2,1-6H3
InChIKeyBBDMUUYCVFZTBW-UHFFFAOYSA-N
MW259.40 g/mol
LogP4.45
Rot. Bonds2

About 2-(2,2,5,5-tetramethylhexan-3-yl)benzotriazole

2-(2,2,5,5-tetramethylhexan-3-yl)benzotriazole (PubChem CID 143732775) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(2,2,5,5-tetramethylhexan-3-yl)benzotriazole.

Molecular Properties

Compound Name2-(2,2,5,5-tetramethylhexan-3-yl)benzotriazole
PubChem CID143732775
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-(2,2,5,5-tetramethylhexan-3-yl)benzotriazole
SMILESCC(C)(C)CC(n1nc2ccccc2n1)C(C)(C)C
InChIInChI=1S/C16H25N3/c1-15(2,3)11-14(16(4,5)6)19-17-12-9-7-8-10-13(12)18-19/h7-10,14H,11H2,1-6H3
InChIKeyBBDMUUYCVFZTBW-UHFFFAOYSA-N
XLogP4.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S,3S)-3-(benzotriazol-2-yl)butan-2-yl]benzotriazole
CID 40530281
[1-(benzotriazol-2-yl)-2,2-dimethylpropyl] acetate
CID 3721873
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-5-(4,4-dimethylpentan-2-yl)-2-hydroxyphenyl]methyl]-4-(4,4-dimethylpentan-2-yl)phenol
CID 155037879
1-(benzotriazol-2-yl)propan-2-ol
CID 130122320
2-[3-(benzotriazol-2-yl)-1,4-diphenylbutan-2-yl]benzotriazole
CID 3718104
2-decan-5-ylbenzotriazole
CID 10264563
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
1-(benzotriazol-2-yloxy)butan-2-ol
CID 175001049
2-(benzotriazol-2-yl)-4-[2,2,6,6-tetramethyl-3,5-di(propan-2-yl)heptan-4-yl]phenol
CID 135326392
2-[[3-(benzotriazol-2-yl)-4-hydroxyphenyl]methyl]-3,3-dimethylbutanoic acid
CID 151419308
2-(benzotriazol-2-yl)phenol;ethane
CID 54470609
1-[1-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]benzotriazole
CID 3838668

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,5,5-tetramethylhexan-3-yl)benzotriazole?
The IUPAC name of 2-(2,2,5,5-tetramethylhexan-3-yl)benzotriazole (CID 143732775) is 2-(2,2,5,5-tetramethylhexan-3-yl)benzotriazole.
What is the SMILES notation for 2-(2,2,5,5-tetramethylhexan-3-yl)benzotriazole?
The canonical SMILES for 2-(2,2,5,5-tetramethylhexan-3-yl)benzotriazole is CC(C)(C)CC(n1nc2ccccc2n1)C(C)(C)C.
What is the InChIKey of 2-(2,2,5,5-tetramethylhexan-3-yl)benzotriazole?
The InChIKey is BBDMUUYCVFZTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-15(2,3)11-14(16(4,5)6)19-17-12-9-7-8-10-13(12)18-19/h7-10,14H,11H2,1-6H3.
What are the key properties of 2-(2,2,5,5-tetramethylhexan-3-yl)benzotriazole?
2-(2,2,5,5-tetramethylhexan-3-yl)benzotriazole has a molecular weight of 259.40 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,5,5-tetramethylhexan-3-yl)benzotriazole is sourced from PubChem (CID 143732775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).