(2E)-2-[[phenoxy(diphenyl)silyl]methylidene]-1-phenylpent-4-en-1-ol

C30H28O2Si — CID 101410185

IUPAC(2E)-2-[[phenoxy(diphenyl)silyl]methylidene]-1-phenylpent-4-en-1-ol
SMILESC=CC/C(=C\[Si](Oc1ccccc1)(c1ccccc1)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C30H28O2Si/c1-2-15-26(30(31)25-16-7-3-8-17-25)24-33(28-20-11-5-12-21-28,29-22-13-6-14-23-29)32-27-18-9-4-10-19-27/h2-14,16-24,30-31H,1,15H2/b26-24+
InChIKeyUGJMJWPBQWJZRH-SHHOIMCASA-N
MW448.64 g/mol
LogP5.60
Rot. Bonds9

About (2E)-2-[[phenoxy(diphenyl)silyl]methylidene]-1-phenylpent-4-en-1-ol

(2E)-2-[[phenoxy(diphenyl)silyl]methylidene]-1-phenylpent-4-en-1-ol (PubChem CID 101410185) has the molecular formula C30H28O2Si and a molecular weight of 448.64 g/mol. Its IUPAC name is (2E)-2-[[phenoxy(diphenyl)silyl]methylidene]-1-phenylpent-4-en-1-ol.

Molecular Properties

Compound Name(2E)-2-[[phenoxy(diphenyl)silyl]methylidene]-1-phenylpent-4-en-1-ol
PubChem CID101410185
Molecular FormulaC30H28O2Si
Molecular Weight448.64 g/mol
Exact Mass448.19
IUPAC Name(2E)-2-[[phenoxy(diphenyl)silyl]methylidene]-1-phenylpent-4-en-1-ol
SMILESC=CC/C(=C\[Si](Oc1ccccc1)(c1ccccc1)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C30H28O2Si/c1-2-15-26(30(31)25-16-7-3-8-17-25)24-33(28-20-11-5-12-21-28,29-22-13-6-14-23-29)32-27-18-9-4-10-19-27/h2-14,16-24,30-31H,1,15H2/b26-24+
InChIKeyUGJMJWPBQWJZRH-SHHOIMCASA-N
XLogP5.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.64
LogP ≤ 55.60
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[phenoxy(diphenyl)silyl]methylidene]-1-phenylpent-4-en-1-ol?
The IUPAC name of (2E)-2-[[phenoxy(diphenyl)silyl]methylidene]-1-phenylpent-4-en-1-ol (CID 101410185) is (2E)-2-[[phenoxy(diphenyl)silyl]methylidene]-1-phenylpent-4-en-1-ol.
What is the SMILES notation for (2E)-2-[[phenoxy(diphenyl)silyl]methylidene]-1-phenylpent-4-en-1-ol?
The canonical SMILES for (2E)-2-[[phenoxy(diphenyl)silyl]methylidene]-1-phenylpent-4-en-1-ol is C=CC/C(=C\[Si](Oc1ccccc1)(c1ccccc1)c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of (2E)-2-[[phenoxy(diphenyl)silyl]methylidene]-1-phenylpent-4-en-1-ol?
The InChIKey is UGJMJWPBQWJZRH-SHHOIMCASA-N. The full InChI is InChI=1S/C30H28O2Si/c1-2-15-26(30(31)25-16-7-3-8-17-25)24-33(28-20-11-5-12-21-28,29-22-13-6-14-23-29)32-27-18-9-4-10-19-27/h2-14,16-24,30-31H,1,15H2/b26-24+.
What are the key properties of (2E)-2-[[phenoxy(diphenyl)silyl]methylidene]-1-phenylpent-4-en-1-ol?
(2E)-2-[[phenoxy(diphenyl)silyl]methylidene]-1-phenylpent-4-en-1-ol has a molecular weight of 448.64 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[phenoxy(diphenyl)silyl]methylidene]-1-phenylpent-4-en-1-ol is sourced from PubChem (CID 101410185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).