[(2R,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tert-butyl-diphenylsilane

C34H34N2O6Si — CID 11753648

IUPAC[(2R,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)C12C[C@H](c3ccc([N+](=O)[O-])cc3)OC1O[C@@H](c1ccc([N+](=O)[O-])cc1)C2
InChIInChI=1S/C34H34N2O6Si/c1-33(2,3)43(28-10-6-4-7-11-28,29-12-8-5-9-13-29)34-22-30(24-14-18-26(19-15-24)35(37)38)41-32(34)42-31(23-34)25-16-20-27(21-17-25)36(39)40/h4-21,30-32H,22-23H2,1-3H3/t30-,31-,32?,34?/m1/s1
InChIKeyOEIXZPKCENQUKG-XTBQKBRFSA-N
MW594.74 g/mol
LogP7.26
Rot. Bonds7

About [(2R,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tert-butyl-diphenylsilane

[(2R,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tert-butyl-diphenylsilane (PubChem CID 11753648) has the molecular formula C34H34N2O6Si and a molecular weight of 594.74 g/mol. Its IUPAC name is [(2R,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2R,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tert-butyl-diphenylsilane
PubChem CID11753648
Molecular FormulaC34H34N2O6Si
Molecular Weight594.74 g/mol
Exact Mass594.22
IUPAC Name[(2R,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](c1ccccc1)(c1ccccc1)C12C[C@H](c3ccc([N+](=O)[O-])cc3)OC1O[C@@H](c1ccc([N+](=O)[O-])cc1)C2
InChIInChI=1S/C34H34N2O6Si/c1-33(2,3)43(28-10-6-4-7-11-28,29-12-8-5-9-13-29)34-22-30(24-14-18-26(19-15-24)35(37)38)41-32(34)42-31(23-34)25-16-20-27(21-17-25)36(39)40/h4-21,30-32H,22-23H2,1-3H3/t30-,31-,32?,34?/m1/s1
InChIKeyOEIXZPKCENQUKG-XTBQKBRFSA-N
XLogP7.26
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.74
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2S,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tri(propan-2-yl)silane
CID 101227102
tert-butyl-[3-(4-nitrophenyl)oxaziridin-2-yl]-diphenylsilane
CID 71517775
(2R,4S,6S)-2,4-bis(4-nitrophenyl)-6-phenyl-1,3-dioxane
CID 100817075
1-[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]ethanone
CID 24987776
(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
CID 14770197
[(2R,3S,5S)-2-(4-nitrophenyl)-5-phenyloxolan-3-yl]-phenylmethanone
CID 24987775
(1S,3R)-1-methyl-3-(4-nitrophenyl)-3,4-dihydro-1H-isochromene
CID 15425708
3,3-dimethyl-1-[(1S,3R)-3-(4-nitrophenyl)-3,4-dihydro-1H-isochromen-1-yl]butan-2-one
CID 10970249
(3R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(4-nitrophenyl)oxane-2,3-diol
CID 100995947
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688
(6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one
CID 67351700
(2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one
CID 102323795

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tert-butyl-diphenylsilane?
The IUPAC name of [(2R,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tert-butyl-diphenylsilane (CID 11753648) is [(2R,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2R,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tert-butyl-diphenylsilane?
The canonical SMILES for [(2R,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tert-butyl-diphenylsilane is CC(C)(C)[Si](c1ccccc1)(c1ccccc1)C12C[C@H](c3ccc([N+](=O)[O-])cc3)OC1O[C@@H](c1ccc([N+](=O)[O-])cc1)C2.
What is the InChIKey of [(2R,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tert-butyl-diphenylsilane?
The InChIKey is OEIXZPKCENQUKG-XTBQKBRFSA-N. The full InChI is InChI=1S/C34H34N2O6Si/c1-33(2,3)43(28-10-6-4-7-11-28,29-12-8-5-9-13-29)34-22-30(24-14-18-26(19-15-24)35(37)38)41-32(34)42-31(23-34)25-16-20-27(21-17-25)36(39)40/h4-21,30-32H,22-23H2,1-3H3/t30-,31-,32?,34?/m1/s1.
What are the key properties of [(2R,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tert-butyl-diphenylsilane?
[(2R,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tert-butyl-diphenylsilane has a molecular weight of 594.74 g/mol, XLogP of 7.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tert-butyl-diphenylsilane is sourced from PubChem (CID 11753648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).