[(1E,3E)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]-tri(propan-2-yl)silane

C25H33NO3Si — CID 177460480

IUPAC[(1E,3E)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](O/C(=C/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C25H33NO3Si/c1-19(2)30(20(3)4,21(5)6)29-25(23-12-8-7-9-13-23)14-10-11-22-15-17-24(18-16-22)26(27)28/h7-21H,1-6H3/b11-10+,25-14+
InChIKeyXZPSDXURRQXLOU-WFBSJYIVSA-N
MW423.63 g/mol
LogP7.84
Rot. Bonds9

About [(1E,3E)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]-tri(propan-2-yl)silane

[(1E,3E)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]-tri(propan-2-yl)silane (PubChem CID 177460480) has the molecular formula C25H33NO3Si and a molecular weight of 423.63 g/mol. Its IUPAC name is [(1E,3E)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1E,3E)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]-tri(propan-2-yl)silane
PubChem CID177460480
Molecular FormulaC25H33NO3Si
Molecular Weight423.63 g/mol
Exact Mass423.22
IUPAC Name[(1E,3E)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](O/C(=C/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C25H33NO3Si/c1-19(2)30(20(3)4,21(5)6)29-25(23-12-8-7-9-13-23)14-10-11-22-15-17-24(18-16-22)26(27)28/h7-21H,1-6H3/b11-10+,25-14+
InChIKeyXZPSDXURRQXLOU-WFBSJYIVSA-N
XLogP7.84
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.63
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(1Z,3Z)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]silane
CID 102342625
[(3E)-4-(4-nitrophenyl)buta-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane
CID 154710233
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
2-methylpropyl (2E,4E)-2-benzamido-5-(4-nitrophenyl)penta-2,4-dienoate
CID 7244704
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
CID 122387898
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
(2E,4E)-5-(4-nitrophenyl)-1-phenylpenta-2,4-dien-1-ol
CID 23263855
(1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol
CID 23263853
(E,2S)-4-(4-nitrophenyl)but-3-en-2-ol
CID 23730866
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
(2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide
CID 134907476

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(1E,3E)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]-tri(propan-2-yl)silane (CID 177460480) is [(1E,3E)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(1E,3E)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(1E,3E)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]-tri(propan-2-yl)silane is CC(C)[Si](O/C(=C/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [(1E,3E)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]-tri(propan-2-yl)silane?
The InChIKey is XZPSDXURRQXLOU-WFBSJYIVSA-N. The full InChI is InChI=1S/C25H33NO3Si/c1-19(2)30(20(3)4,21(5)6)29-25(23-12-8-7-9-13-23)14-10-11-22-15-17-24(18-16-22)26(27)28/h7-21H,1-6H3/b11-10+,25-14+.
What are the key properties of [(1E,3E)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]-tri(propan-2-yl)silane?
[(1E,3E)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]-tri(propan-2-yl)silane has a molecular weight of 423.63 g/mol, XLogP of 7.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-4-(4-nitrophenyl)-1-phenylbuta-1,3-dienoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 177460480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).