1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole

C31H28OSi — CID 13180868

IUPAC1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole
SMILESCC[Si]1(OC)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C31H28OSi/c1-3-33(32-2)30(26-20-12-6-13-21-26)28(24-16-8-4-9-17-24)29(25-18-10-5-11-19-25)31(33)27-22-14-7-15-23-27/h4-23H,3H2,1-2H3
InChIKeyKQXBQPFXQBNAJG-UHFFFAOYSA-N
MW444.65 g/mol
LogP7.91
Rot. Bonds6

About 1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole

1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole (PubChem CID 13180868) has the molecular formula C31H28OSi and a molecular weight of 444.65 g/mol. Its IUPAC name is 1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole.

Molecular Properties

Compound Name1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole
PubChem CID13180868
Molecular FormulaC31H28OSi
Molecular Weight444.65 g/mol
Exact Mass444.19
IUPAC Name1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole
SMILESCC[Si]1(OC)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C31H28OSi/c1-3-33(32-2)30(26-20-12-6-13-21-26)28(24-16-8-4-9-17-24)29(25-18-10-5-11-19-25)31(33)27-22-14-7-15-23-27/h4-23H,3H2,1-2H3
InChIKeyKQXBQPFXQBNAJG-UHFFFAOYSA-N
XLogP7.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.65
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole?
The IUPAC name of 1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole (CID 13180868) is 1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole.
What is the SMILES notation for 1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole?
The canonical SMILES for 1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole is CC[Si]1(OC)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole?
The InChIKey is KQXBQPFXQBNAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28OSi/c1-3-33(32-2)30(26-20-12-6-13-21-26)28(24-16-8-4-9-17-24)29(25-18-10-5-11-19-25)31(33)27-22-14-7-15-23-27/h4-23H,3H2,1-2H3.
What are the key properties of 1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole?
1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole has a molecular weight of 444.65 g/mol, XLogP of 7.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methoxy-2,3,4,5-tetraphenylsilole is sourced from PubChem (CID 13180868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).