tris(4-methoxyphenoxy)-[(E)-2-phenylethenyl]silane

C29H28O6Si — CID 102056330

IUPACtris(4-methoxyphenoxy)-[(E)-2-phenylethenyl]silane
SMILESCOc1ccc(O[Si](/C=C/c2ccccc2)(Oc2ccc(OC)cc2)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C29H28O6Si/c1-30-24-9-15-27(16-10-24)33-36(22-21-23-7-5-4-6-8-23,34-28-17-11-25(31-2)12-18-28)35-29-19-13-26(32-3)14-20-29/h4-22H,1-3H3/b22-21+
InChIKeyUPAKHHFIGOYBTI-QURGRASLSA-N
MW500.62 g/mol
LogP6.44
Rot. Bonds11

About tris(4-methoxyphenoxy)-[(E)-2-phenylethenyl]silane

tris(4-methoxyphenoxy)-[(E)-2-phenylethenyl]silane (PubChem CID 102056330) has the molecular formula C29H28O6Si and a molecular weight of 500.62 g/mol. Its IUPAC name is tris(4-methoxyphenoxy)-[(E)-2-phenylethenyl]silane.

Molecular Properties

Compound Nametris(4-methoxyphenoxy)-[(E)-2-phenylethenyl]silane
PubChem CID102056330
Molecular FormulaC29H28O6Si
Molecular Weight500.62 g/mol
Exact Mass500.17
IUPAC Nametris(4-methoxyphenoxy)-[(E)-2-phenylethenyl]silane
SMILESCOc1ccc(O[Si](/C=C/c2ccccc2)(Oc2ccc(OC)cc2)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C29H28O6Si/c1-30-24-9-15-27(16-10-24)33-36(22-21-23-7-5-4-6-8-23,34-28-17-11-25(31-2)12-18-28)35-29-19-13-26(32-3)14-20-29/h4-22H,1-3H3/b22-21+
InChIKeyUPAKHHFIGOYBTI-QURGRASLSA-N
XLogP6.44
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.62
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(4-methoxyphenyl)-(2-phenylethenyl)iodanium
CID 88650705
[(E)-2-(4-methoxyphenyl)ethenyl]-[[[[[[(E)-2-(4-methoxyphenyl)ethenyl]-dimethylsilyl]-dimethylsilyl]-dimethylsilyl]-dimethylsilyl]-dimethylsilyl]-dimethylsilane
CID 177461238
benzaldehyde;1-methoxy-4-methylbenzene
CID 142165597
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208
2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine
CID 135025720
anisole;benzaldehyde;ethane;methoxymethane
CID 159133619
[(E)-2-(4-methoxyphenyl)ethenyl]-dimethyl-pyrimidin-2-ylsilane
CID 101268711
benzaldehyde;4-methoxyaniline
CID 159915454
(E)-1-(4-methoxyphenyl)-5-phenylpent-4-en-2-yn-1-one
CID 102363775

Frequently Asked Questions

What is the IUPAC name of tris(4-methoxyphenoxy)-[(E)-2-phenylethenyl]silane?
The IUPAC name of tris(4-methoxyphenoxy)-[(E)-2-phenylethenyl]silane (CID 102056330) is tris(4-methoxyphenoxy)-[(E)-2-phenylethenyl]silane.
What is the SMILES notation for tris(4-methoxyphenoxy)-[(E)-2-phenylethenyl]silane?
The canonical SMILES for tris(4-methoxyphenoxy)-[(E)-2-phenylethenyl]silane is COc1ccc(O[Si](/C=C/c2ccccc2)(Oc2ccc(OC)cc2)Oc2ccc(OC)cc2)cc1.
What is the InChIKey of tris(4-methoxyphenoxy)-[(E)-2-phenylethenyl]silane?
The InChIKey is UPAKHHFIGOYBTI-QURGRASLSA-N. The full InChI is InChI=1S/C29H28O6Si/c1-30-24-9-15-27(16-10-24)33-36(22-21-23-7-5-4-6-8-23,34-28-17-11-25(31-2)12-18-28)35-29-19-13-26(32-3)14-20-29/h4-22H,1-3H3/b22-21+.
What are the key properties of tris(4-methoxyphenoxy)-[(E)-2-phenylethenyl]silane?
tris(4-methoxyphenoxy)-[(E)-2-phenylethenyl]silane has a molecular weight of 500.62 g/mol, XLogP of 6.44, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methoxyphenoxy)-[(E)-2-phenylethenyl]silane is sourced from PubChem (CID 102056330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).