(6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy-tert-butyl-dimethylsilane

C15H23BrO3Si — CID 20785499

IUPAC(6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1COc2ccc(Br)cc2O1
InChIInChI=1S/C15H23BrO3Si/c1-15(2,3)20(4,5)18-10-12-9-17-13-7-6-11(16)8-14(13)19-12/h6-8,12H,9-10H2,1-5H3
InChIKeyFIXAHPVAEMUTCY-UHFFFAOYSA-N
MW359.34 g/mol
LogP4.61
Rot. Bonds3

About (6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy-tert-butyl-dimethylsilane

(6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy-tert-butyl-dimethylsilane (PubChem CID 20785499) has the molecular formula C15H23BrO3Si and a molecular weight of 359.34 g/mol. Its IUPAC name is (6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy-tert-butyl-dimethylsilane
PubChem CID20785499
Molecular FormulaC15H23BrO3Si
Molecular Weight359.34 g/mol
Exact Mass358.06
IUPAC Name(6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1COc2ccc(Br)cc2O1
InChIInChI=1S/C15H23BrO3Si/c1-15(2,3)20(4,5)18-10-12-9-17-13-7-6-11(16)8-14(13)19-12/h6-8,12H,9-10H2,1-5H3
InChIKeyFIXAHPVAEMUTCY-UHFFFAOYSA-N
XLogP4.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 54.61
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

4'-Bromobenzo-18-crown 6-Ether
CID 2734267
2-Bromooxanthrene
CID 60059
4'-Bromobenzo-15-crown 5-Ether
CID 2724799
6-Bromo-1,4-benzodioxane
CID 104141
6,7-Dibromobenzo(1,4)dioxan
CID 2754502
7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine
CID 2776394
21-Bromo-2,3,5,6,8,9,11,12,14,15,17,18-dodecahydrobenzo[b][1,4,7,10,13,16,19]heptaoxacyclohenicosine
CID 3092557
(6-Bromo-2,3-dihydro-1,4-benzodioxin-2-yl)methanol
CID 233966
5-Bromo-2,3-dihydro-1,4-benzodioxine
CID 18787268
4-Bromo-1-methoxy-2-(3-methoxypropoxy)benzene
CID 21458711
7-Bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine
CID 68601177
7-Bromo-5-methoxy-2,3-dihydro-1,4-benzodioxine
CID 165643292

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy-tert-butyl-dimethylsilane (CID 20785499) is (6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1COc2ccc(Br)cc2O1.
What is the InChIKey of (6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is FIXAHPVAEMUTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO3Si/c1-15(2,3)20(4,5)18-10-12-9-17-13-7-6-11(16)8-14(13)19-12/h6-8,12H,9-10H2,1-5H3.
What are the key properties of (6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy-tert-butyl-dimethylsilane?
(6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 359.34 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 20785499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).