1-[1-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]benzotriazole

C16H25N3O — CID 3838668

IUPAC1-[1-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]benzotriazole
SMILESCC(C)(C)COC(n1nnc2ccccc21)C(C)(C)C
InChIInChI=1S/C16H25N3O/c1-15(2,3)11-20-14(16(4,5)6)19-13-10-8-7-9-12(13)17-18-19/h7-10,14H,11H2,1-6H3
InChIKeyDIMOTANOZVWYLQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.04
Rot. Bonds3

About 1-[1-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]benzotriazole

1-[1-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]benzotriazole (PubChem CID 3838668) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]benzotriazole.

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]benzotriazole
PubChem CID3838668
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[1-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]benzotriazole
SMILESCC(C)(C)COC(n1nnc2ccccc21)C(C)(C)C
InChIInChI=1S/C16H25N3O/c1-15(2,3)11-20-14(16(4,5)6)19-13-10-8-7-9-12(13)17-18-19/h7-10,14H,11H2,1-6H3
InChIKeyDIMOTANOZVWYLQ-UHFFFAOYSA-N
XLogP4.04
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-dimethylbutan-2-yl)benzotriazole
CID 175055537
1-(1-fluoro-2,2-dimethylpropyl)benzotriazole
CID 4562085
1-[3-(benzotriazol-1-yl)-1,3-dimethoxypropyl]benzotriazole
CID 3427901
1-[(1S)-1-ethoxyprop-2-ynyl]benzotriazole
CID 40527015
1-[ethoxy-(2-methoxyphenyl)methyl]benzotriazole
CID 3641225
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
1-(2,3-dibromo-1-ethoxypropyl)benzotriazole
CID 3794280
3-(benzotriazol-1-yl)butan-1-ol
CID 130123820
[benzotriazol-1-yl(methoxy)methyl]-trimethylsilane
CID 3780985
(3S)-3-(benzotriazol-1-yl)butan-1-ol
CID 102325183
1-[2-(benzotriazol-1-yl)-1,2-bis(phenylsulfanyl)ethyl]benzotriazole
CID 3750406
1-(1,2-diphenylethyl)benzotriazole
CID 3713183

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]benzotriazole?
The IUPAC name of 1-[1-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]benzotriazole (CID 3838668) is 1-[1-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]benzotriazole.
What is the SMILES notation for 1-[1-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]benzotriazole?
The canonical SMILES for 1-[1-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]benzotriazole is CC(C)(C)COC(n1nnc2ccccc21)C(C)(C)C.
What is the InChIKey of 1-[1-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]benzotriazole?
The InChIKey is DIMOTANOZVWYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-15(2,3)11-20-14(16(4,5)6)19-13-10-8-7-9-12(13)17-18-19/h7-10,14H,11H2,1-6H3.
What are the key properties of 1-[1-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]benzotriazole?
1-[1-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]benzotriazole has a molecular weight of 275.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylpropoxy)-2,2-dimethylpropyl]benzotriazole is sourced from PubChem (CID 3838668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).