phenoxy-diphenyl-[(1E)-2-(phenylmethoxymethyl)penta-1,4-dienyl]silane

C31H30O2Si — CID 101410182

IUPACphenoxy-diphenyl-[(1E)-2-(phenylmethoxymethyl)penta-1,4-dienyl]silane
SMILESC=CC/C(=C\[Si](Oc1ccccc1)(c1ccccc1)c1ccccc1)COCc1ccccc1
InChIInChI=1S/C31H30O2Si/c1-2-15-28(25-32-24-27-16-7-3-8-17-27)26-34(30-20-11-5-12-21-30,31-22-13-6-14-23-31)33-29-18-9-4-10-19-29/h2-14,16-23,26H,1,15,24-25H2/b28-26+
InChIKeyZIRCYAFKIWQLGG-BYCLXTJYSA-N
MW462.67 g/mol
LogP6.08
Rot. Bonds11

About phenoxy-diphenyl-[(1E)-2-(phenylmethoxymethyl)penta-1,4-dienyl]silane

phenoxy-diphenyl-[(1E)-2-(phenylmethoxymethyl)penta-1,4-dienyl]silane (PubChem CID 101410182) has the molecular formula C31H30O2Si and a molecular weight of 462.67 g/mol. Its IUPAC name is phenoxy-diphenyl-[(1E)-2-(phenylmethoxymethyl)penta-1,4-dienyl]silane.

Molecular Properties

Compound Namephenoxy-diphenyl-[(1E)-2-(phenylmethoxymethyl)penta-1,4-dienyl]silane
PubChem CID101410182
Molecular FormulaC31H30O2Si
Molecular Weight462.67 g/mol
Exact Mass462.20
IUPAC Namephenoxy-diphenyl-[(1E)-2-(phenylmethoxymethyl)penta-1,4-dienyl]silane
SMILESC=CC/C(=C\[Si](Oc1ccccc1)(c1ccccc1)c1ccccc1)COCc1ccccc1
InChIInChI=1S/C31H30O2Si/c1-2-15-28(25-32-24-27-16-7-3-8-17-27)26-34(30-20-11-5-12-21-30,31-22-13-6-14-23-31)33-29-18-9-4-10-19-29/h2-14,16-23,26H,1,15,24-25H2/b28-26+
InChIKeyZIRCYAFKIWQLGG-BYCLXTJYSA-N
XLogP6.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.67
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[[phenoxy(diphenyl)silyl]methylidene]-1-phenylpent-4-en-1-ol
CID 101410185
2-(dibromomethylidene)pent-4-enoxymethylbenzene
CID 10641284
2-(dideuteriomethylidene)pent-4-enoxymethylbenzene
CID 10750202
2-methylidenebut-3-enoxymethylbenzene
CID 11275317
benzyl but-3-enoate
CID 11019385
[(E)-2-(phenylmethoxymethyl)but-2-enoxy]-tri(propan-2-yl)silane
CID 102420728
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
CID 66734377
CID 66734377
[4-phenylmethoxy-3-(phenylmethoxymethyl)but-2-enyl] acetate
CID 15450715
sodium;hydride;2-phenylmethoxyacetic acid
CID 174345523
1-phenoxypent-4-en-2-one
CID 62716371
potassium trifluoro(3-phenylmethoxyprop-1-en-2-yl)boranuide
CID 57415755

Frequently Asked Questions

What is the IUPAC name of phenoxy-diphenyl-[(1E)-2-(phenylmethoxymethyl)penta-1,4-dienyl]silane?
The IUPAC name of phenoxy-diphenyl-[(1E)-2-(phenylmethoxymethyl)penta-1,4-dienyl]silane (CID 101410182) is phenoxy-diphenyl-[(1E)-2-(phenylmethoxymethyl)penta-1,4-dienyl]silane.
What is the SMILES notation for phenoxy-diphenyl-[(1E)-2-(phenylmethoxymethyl)penta-1,4-dienyl]silane?
The canonical SMILES for phenoxy-diphenyl-[(1E)-2-(phenylmethoxymethyl)penta-1,4-dienyl]silane is C=CC/C(=C\[Si](Oc1ccccc1)(c1ccccc1)c1ccccc1)COCc1ccccc1.
What is the InChIKey of phenoxy-diphenyl-[(1E)-2-(phenylmethoxymethyl)penta-1,4-dienyl]silane?
The InChIKey is ZIRCYAFKIWQLGG-BYCLXTJYSA-N. The full InChI is InChI=1S/C31H30O2Si/c1-2-15-28(25-32-24-27-16-7-3-8-17-27)26-34(30-20-11-5-12-21-30,31-22-13-6-14-23-31)33-29-18-9-4-10-19-29/h2-14,16-23,26H,1,15,24-25H2/b28-26+.
What are the key properties of phenoxy-diphenyl-[(1E)-2-(phenylmethoxymethyl)penta-1,4-dienyl]silane?
phenoxy-diphenyl-[(1E)-2-(phenylmethoxymethyl)penta-1,4-dienyl]silane has a molecular weight of 462.67 g/mol, XLogP of 6.08, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxy-diphenyl-[(1E)-2-(phenylmethoxymethyl)penta-1,4-dienyl]silane is sourced from PubChem (CID 101410182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).