6-bromo-7-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]chromen-2-one

C22H35BrO4Si2 — CID 90395474

IUPAC6-bromo-7-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]chromen-2-one
SMILESCC(C)(C)[Si](C)(C)OCc1cc(=O)oc2cc(O[Si](C)(C)C(C)(C)C)c(Br)cc12
InChIInChI=1S/C22H35BrO4Si2/c1-21(2,3)28(7,8)25-14-15-11-20(24)26-18-13-19(17(23)12-16(15)18)27-29(9,10)22(4,5)6/h11-13H,14H2,1-10H3
InChIKeyOVMWSHMOIVGNOF-UHFFFAOYSA-N
MW499.59 g/mol
LogP7.46
Rot. Bonds5

About 6-bromo-7-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]chromen-2-one

6-bromo-7-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]chromen-2-one (PubChem CID 90395474) has the molecular formula C22H35BrO4Si2 and a molecular weight of 499.59 g/mol. Its IUPAC name is 6-bromo-7-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]chromen-2-one.

Molecular Properties

Compound Name6-bromo-7-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]chromen-2-one
PubChem CID90395474
Molecular FormulaC22H35BrO4Si2
Molecular Weight499.59 g/mol
Exact Mass498.13
IUPAC Name6-bromo-7-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]chromen-2-one
SMILESCC(C)(C)[Si](C)(C)OCc1cc(=O)oc2cc(O[Si](C)(C)C(C)(C)C)c(Br)cc12
InChIInChI=1S/C22H35BrO4Si2/c1-21(2,3)28(7,8)25-14-15-11-20(24)26-18-13-19(17(23)12-16(15)18)27-29(9,10)22(4,5)6/h11-13H,14H2,1-10H3
InChIKeyOVMWSHMOIVGNOF-UHFFFAOYSA-N
XLogP7.46
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.59
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-6,7-dimethoxychromen-2-one
CID 12070149
3-bromo-4-[tert-butyl(dimethyl)silyl]oxyphenol
CID 58833573
6-bromo-7-hydroxy-4-propylchromen-2-one
CID 169006573
[2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane
CID 102589109
7-tert-butyl-4-(methoxymethyl)chromen-2-one
CID 58452098
(7-bromo-2-oxochromen-4-yl)methyl 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 30421508
7-bromo-4-[(2-bromophenoxy)methyl]chromen-2-one
CID 16518107
6-methyl-4-[(2,4,6-tribromophenoxy)methyl]chromen-2-one
CID 25194311
6-bromo-4-[(2,4,6-tribromophenoxy)methyl]chromen-2-one
CID 25194101
4-[(2-bromophenoxy)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 16518094
4-ethyl-7-hydroxy-6-methoxychromen-2-one
CID 119087961
(2-bromo-6-methyl-4-pyridinyl)methoxy-tert-butyl-dimethylsilane
CID 142618982

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]chromen-2-one?
The IUPAC name of 6-bromo-7-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]chromen-2-one (CID 90395474) is 6-bromo-7-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]chromen-2-one.
What is the SMILES notation for 6-bromo-7-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]chromen-2-one?
The canonical SMILES for 6-bromo-7-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]chromen-2-one is CC(C)(C)[Si](C)(C)OCc1cc(=O)oc2cc(O[Si](C)(C)C(C)(C)C)c(Br)cc12.
What is the InChIKey of 6-bromo-7-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]chromen-2-one?
The InChIKey is OVMWSHMOIVGNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35BrO4Si2/c1-21(2,3)28(7,8)25-14-15-11-20(24)26-18-13-19(17(23)12-16(15)18)27-29(9,10)22(4,5)6/h11-13H,14H2,1-10H3.
What are the key properties of 6-bromo-7-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]chromen-2-one?
6-bromo-7-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]chromen-2-one has a molecular weight of 499.59 g/mol, XLogP of 7.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]chromen-2-one is sourced from PubChem (CID 90395474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).