tert-butyl-[[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]oxy]-dimethylsilane

C27H43NO3Si2 — CID 58602569

IUPACtert-butyl-[[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2CNc3ccc(O[Si](C)(C)C(C)(C)C)cc3OC2)cc1
InChIInChI=1S/C27H43NO3Si2/c1-26(2,3)32(7,8)30-22-13-11-20(12-14-22)21-18-28-24-16-15-23(17-25(24)29-19-21)31-33(9,10)27(4,5)6/h11-17,21,28H,18-19H2,1-10H3
InChIKeyWEXFXSDIUYMQEK-UHFFFAOYSA-N
MW485.82 g/mol
LogP8.04
Rot. Bonds5

About tert-butyl-[[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]oxy]-dimethylsilane

tert-butyl-[[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]oxy]-dimethylsilane (PubChem CID 58602569) has the molecular formula C27H43NO3Si2 and a molecular weight of 485.82 g/mol. Its IUPAC name is tert-butyl-[[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]oxy]-dimethylsilane
PubChem CID58602569
Molecular FormulaC27H43NO3Si2
Molecular Weight485.82 g/mol
Exact Mass485.28
IUPAC Nametert-butyl-[[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2CNc3ccc(O[Si](C)(C)C(C)(C)C)cc3OC2)cc1
InChIInChI=1S/C27H43NO3Si2/c1-26(2,3)32(7,8)30-22-13-11-20(12-14-22)21-18-28-24-16-15-23(17-25(24)29-19-21)31-33(9,10)27(4,5)6/h11-17,21,28H,18-19H2,1-10H3
InChIKeyWEXFXSDIUYMQEK-UHFFFAOYSA-N
XLogP8.04
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.82
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydro-2H-1,4-benzoxazin-7-yloxy(trimethyl)silane
CID 167717191
tert-butyl-dimethyl-(1,2,4,5-tetrahydropyrano[3,4-c]chromen-8-yloxy)silane
CID 141146350
tert-butyl-(1H-indol-6-yloxy)-dimethylsilane
CID 22250816
(4R)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol
CID 129403845
(4S)-7-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-chromen-4-ol
CID 129403844
7-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]spiro[3.5]nonan-2-one
CID 167488490
tert-butyl-dimethyl-[(3-methyl-2H-1,3-benzoxazol-6-yl)oxy]silane
CID 141266666
tert-butyl-[4-[7-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-2H-chromen-3-yl]phenoxy]-dimethylsilane
CID 10875422
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
tert-butyl-[(3-iodo-2H-indazol-5-yl)oxy]-dimethylsilane
CID 66646911
(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol
CID 10989636
2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol
CID 175597081

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]oxy]-dimethylsilane (CID 58602569) is tert-butyl-[[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(C2CNc3ccc(O[Si](C)(C)C(C)(C)C)cc3OC2)cc1.
What is the InChIKey of tert-butyl-[[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]oxy]-dimethylsilane?
The InChIKey is WEXFXSDIUYMQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43NO3Si2/c1-26(2,3)32(7,8)30-22-13-11-20(12-14-22)21-18-28-24-16-15-23(17-25(24)29-19-21)31-33(9,10)27(4,5)6/h11-17,21,28H,18-19H2,1-10H3.
What are the key properties of tert-butyl-[[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]oxy]-dimethylsilane?
tert-butyl-[[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]oxy]-dimethylsilane has a molecular weight of 485.82 g/mol, XLogP of 8.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepin-8-yl]oxy]-dimethylsilane is sourced from PubChem (CID 58602569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).