tert-butyl-dimethyl-[(3-methyl-2H-1,3-benzoxazol-6-yl)oxy]silane

C14H23NO2Si — CID 141266666

IUPACtert-butyl-dimethyl-[(3-methyl-2H-1,3-benzoxazol-6-yl)oxy]silane
SMILESCN1COc2cc(O[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C14H23NO2Si/c1-14(2,3)18(5,6)17-11-7-8-12-13(9-11)16-10-15(12)4/h7-9H,10H2,1-6H3
InChIKeyWXOQMFYADFYNQT-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.86
Rot. Bonds2

About tert-butyl-dimethyl-[(3-methyl-2H-1,3-benzoxazol-6-yl)oxy]silane

tert-butyl-dimethyl-[(3-methyl-2H-1,3-benzoxazol-6-yl)oxy]silane (PubChem CID 141266666) has the molecular formula C14H23NO2Si and a molecular weight of 265.43 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3-methyl-2H-1,3-benzoxazol-6-yl)oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3-methyl-2H-1,3-benzoxazol-6-yl)oxy]silane
PubChem CID141266666
Molecular FormulaC14H23NO2Si
Molecular Weight265.43 g/mol
Exact Mass265.15
IUPAC Nametert-butyl-dimethyl-[(3-methyl-2H-1,3-benzoxazol-6-yl)oxy]silane
SMILESCN1COc2cc(O[Si](C)(C)C(C)(C)C)ccc21
InChIInChI=1S/C14H23NO2Si/c1-14(2,3)18(5,6)17-11-7-8-12-13(9-11)16-10-15(12)4/h7-9H,10H2,1-6H3
InChIKeyWXOQMFYADFYNQT-UHFFFAOYSA-N
XLogP3.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
(4S)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol
CID 129403844
(4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol
CID 129403845
3-methyl-6-propan-2-yl-2H-1,3-benzoxazole
CID 59286012
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 140666668
tert-butyl-dimethyl-(1,2,4,5-tetrahydropyrano[3,4-c]chromen-8-yloxy)silane
CID 141146350
2-[4-[tert-butyl(dimethyl)silyl]oxypyrazol-1-yl]-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)acetamide
CID 69079558
tert-butyl-(1H-indol-6-yloxy)-dimethylsilane
CID 22250816
4-[tert-butyl(dimethyl)silyl]oxy-2-propan-2-ylaniline
CID 163374975
tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane
CID 10777512
tert-butyl-[[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]oxy]-dimethylsilane
CID 58602569
[4-[5-[3,5-bis[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,2-oxazol-5-yl]phenyl]-1,2-oxazol-3-yl]phenoxy]-tert-butyl-dimethylsilane
CID 53360376

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3-methyl-2H-1,3-benzoxazol-6-yl)oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3-methyl-2H-1,3-benzoxazol-6-yl)oxy]silane (CID 141266666) is tert-butyl-dimethyl-[(3-methyl-2H-1,3-benzoxazol-6-yl)oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3-methyl-2H-1,3-benzoxazol-6-yl)oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3-methyl-2H-1,3-benzoxazol-6-yl)oxy]silane is CN1COc2cc(O[Si](C)(C)C(C)(C)C)ccc21.
What is the InChIKey of tert-butyl-dimethyl-[(3-methyl-2H-1,3-benzoxazol-6-yl)oxy]silane?
The InChIKey is WXOQMFYADFYNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2Si/c1-14(2,3)18(5,6)17-11-7-8-12-13(9-11)16-10-15(12)4/h7-9H,10H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[(3-methyl-2H-1,3-benzoxazol-6-yl)oxy]silane?
tert-butyl-dimethyl-[(3-methyl-2H-1,3-benzoxazol-6-yl)oxy]silane has a molecular weight of 265.43 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3-methyl-2H-1,3-benzoxazol-6-yl)oxy]silane is sourced from PubChem (CID 141266666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).