5,5-dibromo-6-[[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methoxy]-1,3-diazinane-2,4-dione

C26H32Br2N2O6Si — CID 11050598

IUPAC5,5-dibromo-6-[[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methoxy]-1,3-diazinane-2,4-dione
SMILESCOC1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](COC2NC(=O)NC(=O)C2(Br)Br)O1
InChIInChI=1S/C26H32Br2N2O6Si/c1-25(2,3)37(17-11-7-5-8-12-17,18-13-9-6-10-14-18)36-19-15-21(33-4)35-20(19)16-34-23-26(27,28)22(31)29-24(32)30-23/h5-14,19-21,23H,15-16H2,1-4H3,(H2,29,30,31,32)/t19-,20+,21?,23?/m0/s1
InChIKeyZQZOYZBRBKAILF-HUHVMKPBSA-N
MW656.44 g/mol
LogP3.36
Rot. Bonds8

About 5,5-dibromo-6-[[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methoxy]-1,3-diazinane-2,4-dione

5,5-dibromo-6-[[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methoxy]-1,3-diazinane-2,4-dione (PubChem CID 11050598) has the molecular formula C26H32Br2N2O6Si and a molecular weight of 656.44 g/mol. Its IUPAC name is 5,5-dibromo-6-[[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methoxy]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5,5-dibromo-6-[[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methoxy]-1,3-diazinane-2,4-dione
PubChem CID11050598
Molecular FormulaC26H32Br2N2O6Si
Molecular Weight656.44 g/mol
Exact Mass654.04
IUPAC Name5,5-dibromo-6-[[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methoxy]-1,3-diazinane-2,4-dione
SMILESCOC1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](COC2NC(=O)NC(=O)C2(Br)Br)O1
InChIInChI=1S/C26H32Br2N2O6Si/c1-25(2,3)37(17-11-7-5-8-12-17,18-13-9-6-10-14-18)36-19-15-21(33-4)35-20(19)16-34-23-26(27,28)22(31)29-24(32)30-23/h5-14,19-21,23H,15-16H2,1-4H3,(H2,29,30,31,32)/t19-,20+,21?,23?/m0/s1
InChIKeyZQZOYZBRBKAILF-HUHVMKPBSA-N
XLogP3.36
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500656.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,5-dibromo-6-[[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methoxy]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methyl 4-methylbenzenesulfonate
CID 23583995
[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate
CID 59157894
(2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methoxyoxolane-3-carbonitrile
CID 70226546
(2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol
CID 177394561
2-[(2R,3S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]prop-2-enyl acetate
CID 10939389
tert-butyl-[(2R,3S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(Z)-prop-1-enyl]oxolan-3-yl]oxy-diphenylsilane
CID 101161585
4-[(E)-2-[(2S,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]ethenyl]-5-methyl-3H-1,3-oxazol-2-one
CID 25195227
(4aS,7aS)-1-[(2R,4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]-4a,6-dimethyl-7,7a-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 177387642
(5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one
CID 101261245
(4R,5S,7S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-[(Z)-1-trimethylsilylprop-1-enyl]-1,3-dioxepan-2-one
CID 11814645
[(2R,3R,6S)-2-[(4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxyoxan-3-yl] methanesulfonate
CID 10325861
tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane
CID 11462313

Frequently Asked Questions

What is the IUPAC name of 5,5-dibromo-6-[[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methoxy]-1,3-diazinane-2,4-dione?
The IUPAC name of 5,5-dibromo-6-[[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methoxy]-1,3-diazinane-2,4-dione (CID 11050598) is 5,5-dibromo-6-[[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methoxy]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5,5-dibromo-6-[[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methoxy]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5,5-dibromo-6-[[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methoxy]-1,3-diazinane-2,4-dione is COC1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](COC2NC(=O)NC(=O)C2(Br)Br)O1.
What is the InChIKey of 5,5-dibromo-6-[[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methoxy]-1,3-diazinane-2,4-dione?
The InChIKey is ZQZOYZBRBKAILF-HUHVMKPBSA-N. The full InChI is InChI=1S/C26H32Br2N2O6Si/c1-25(2,3)37(17-11-7-5-8-12-17,18-13-9-6-10-14-18)36-19-15-21(33-4)35-20(19)16-34-23-26(27,28)22(31)29-24(32)30-23/h5-14,19-21,23H,15-16H2,1-4H3,(H2,29,30,31,32)/t19-,20+,21?,23?/m0/s1.
What are the key properties of 5,5-dibromo-6-[[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methoxy]-1,3-diazinane-2,4-dione?
5,5-dibromo-6-[[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methoxy]-1,3-diazinane-2,4-dione has a molecular weight of 656.44 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibromo-6-[[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-methoxyoxolan-2-yl]methoxy]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 11050598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).