tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane

C23H31NO6Si — CID 59904656

IUPACtert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H31NO6Si/c1-23(2,3)31(7,8)30-20-14-16(11-12-19(20)27-4)9-10-17-13-18(24(25)26)22(29-6)21(15-17)28-5/h9-15H,1-8H3/b10-9-
InChIKeyMRUIHSRGEWMURM-KTKRTIGZSA-N
MW445.59 g/mol
LogP6.18
Rot. Bonds8

About tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane

tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane (PubChem CID 59904656) has the molecular formula C23H31NO6Si and a molecular weight of 445.59 g/mol. Its IUPAC name is tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
PubChem CID59904656
Molecular FormulaC23H31NO6Si
Molecular Weight445.59 g/mol
Exact Mass445.19
IUPAC Nametert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H31NO6Si/c1-23(2,3)31(7,8)30-20-14-16(11-12-19(20)27-4)9-10-17-13-18(24(25)26)22(29-6)21(15-17)28-5/h9-15H,1-8H3/b10-9-
InChIKeyMRUIHSRGEWMURM-KTKRTIGZSA-N
XLogP6.18
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 56.18
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
CID 5386557
1,2,3-trimethoxy-5-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]benzene
CID 10616322
tert-butyl-[5-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
CID 50900668
N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine
CID 72751377
tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane
CID 11156035
1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene
CID 58864026
tert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
CID 50900502
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
3-methoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]phenol
CID 25050820
4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene
CID 11000537
2-[2-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propan-2-yl]-5-nitrothiophene
CID 73085599
(E)-3-(3,4-dimethoxy-5-nitrophenyl)prop-2-enoyl chloride
CID 118892493

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane (CID 59904656) is tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane is COc1ccc(/C=C\c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane?
The InChIKey is MRUIHSRGEWMURM-KTKRTIGZSA-N. The full InChI is InChI=1S/C23H31NO6Si/c1-23(2,3)31(7,8)30-20-14-16(11-12-19(20)27-4)9-10-17-13-18(24(25)26)22(29-6)21(15-17)28-5/h9-15H,1-8H3/b10-9-.
What are the key properties of tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane?
tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane has a molecular weight of 445.59 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane is sourced from PubChem (CID 59904656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).