[3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol

C28H47BrO3Si2 — CID 159353997

IUPAC[3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(CBr)c1.CC(C)(C)[Si](C)(C)OCc1cccc(CO)c1
InChIInChI=1S/C14H23BrOSi.C14H24O2Si/c2*1-14(2,3)17(4,5)16-11-13-8-6-7-12(9-13)10-15/h6-9H,10-11H2,1-5H3;6-9,15H,10-11H2,1-5H3
InChIKeyLHRKOZPJEAWVLB-UHFFFAOYSA-N
MW567.76 g/mol
LogP8.80
Rot. Bonds8

About [3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol

[3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol (PubChem CID 159353997) has the molecular formula C28H47BrO3Si2 and a molecular weight of 567.76 g/mol. Its IUPAC name is [3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol.

Molecular Properties

Compound Name[3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol
PubChem CID159353997
Molecular FormulaC28H47BrO3Si2
Molecular Weight567.76 g/mol
Exact Mass566.22
IUPAC Name[3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(CBr)c1.CC(C)(C)[Si](C)(C)OCc1cccc(CO)c1
InChIInChI=1S/C14H23BrOSi.C14H24O2Si/c2*1-14(2,3)17(4,5)16-11-13-8-6-7-12(9-13)10-15/h6-9H,10-11H2,1-5H3;6-9,15H,10-11H2,1-5H3
InChIKeyLHRKOZPJEAWVLB-UHFFFAOYSA-N
XLogP8.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.76
LogP ≤ 58.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 14940556
[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanamine
CID 22049979
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
tert-butyl-dimethyl-[(3-methylphenyl)methoxy]silane
CID 22967275
tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane
CID 66845200
[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]methanol
CID 152503696
1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanone
CID 171363881
3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile
CID 22050298
1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one
CID 70662263
tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane
CID 86054113
tert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane
CID 57096912
(2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane
CID 58538627

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol?
The IUPAC name of [3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol (CID 159353997) is [3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol.
What is the SMILES notation for [3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol?
The canonical SMILES for [3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol is CC(C)(C)[Si](C)(C)OCc1cccc(CBr)c1.CC(C)(C)[Si](C)(C)OCc1cccc(CO)c1.
What is the InChIKey of [3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol?
The InChIKey is LHRKOZPJEAWVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrOSi.C14H24O2Si/c2*1-14(2,3)17(4,5)16-11-13-8-6-7-12(9-13)10-15/h6-9H,10-11H2,1-5H3;6-9,15H,10-11H2,1-5H3.
What are the key properties of [3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol?
[3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol has a molecular weight of 567.76 g/mol, XLogP of 8.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol is sourced from PubChem (CID 159353997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).