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

C15H23BrO3Si — CID 163215694

IUPAC[(3R)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1COc2ccc(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/t12-/m1/s1
InChIKeyFIXAHPVAEMUTCY-GFCCVEGCSA-N
MW359.34 g/mol
LogP4.61
Rot. Bonds3

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

[(3R)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 163215694) has the molecular formula C15H23BrO3Si and a molecular weight of 359.34 g/mol. Its IUPAC name is [(3R)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3R)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID163215694
Molecular FormulaC15H23BrO3Si
Molecular Weight359.34 g/mol
Exact Mass358.06
IUPAC Name[(3R)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1COc2ccc(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/t12-/m1/s1
InChIKeyFIXAHPVAEMUTCY-GFCCVEGCSA-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

(6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methoxy-tert-butyl-dimethylsilane
CID 20785499
1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone
CID 175213010
(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
CID 59016595
6-bromo-3-(2-methoxypropyl)-2,3-dihydro-1,4-benzodioxine
CID 129037053
tert-butyl-dimethyl-[(7-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)methoxy]silane
CID 22020938
(6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate
CID 23284889
[(3R)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate
CID 54071671
6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine
CID 123581940
[tert-butyl(dimethyl)silyl] 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 68778646
tert-butyl-[(6-iodo-3,4-dihydro-2H-chromen-2-yl)methoxy]-dimethylsilane
CID 20627925
[(5R)-3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 59749522
benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 59016592

Frequently Asked Questions

What is the IUPAC name of [(3R)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3R)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy-tert-butyl-dimethylsilane (CID 163215694) is [(3R)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3R)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3R)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@H]1COc2ccc(Br)cc2O1.
What is the InChIKey of [(3R)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is FIXAHPVAEMUTCY-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of [(3R)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy-tert-butyl-dimethylsilane?
[(3R)-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 [(3R)-6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 163215694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).