[2-(1-adamantyl)-4-(4-ethenylphenyl)phenoxy]-tert-butyl-dimethylsilane

C30H40OSi — CID 11775139

IUPAC[2-(1-adamantyl)-4-(4-ethenylphenyl)phenoxy]-tert-butyl-dimethylsilane
SMILESC=Cc1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(C34CC5CC(CC(C5)C3)C4)c2)cc1
InChIInChI=1S/C30H40OSi/c1-7-21-8-10-25(11-9-21)26-12-13-28(31-32(5,6)29(2,3)4)27(17-26)30-18-22-14-23(19-30)16-24(15-22)20-30/h7-13,17,22-24H,1,14-16,18-20H2,2-6H3
InChIKeyHKPOAYYGJPEUBR-UHFFFAOYSA-N
MW444.74 g/mol
LogP8.85
Rot. Bonds5

About [2-(1-adamantyl)-4-(4-ethenylphenyl)phenoxy]-tert-butyl-dimethylsilane

[2-(1-adamantyl)-4-(4-ethenylphenyl)phenoxy]-tert-butyl-dimethylsilane (PubChem CID 11775139) has the molecular formula C30H40OSi and a molecular weight of 444.74 g/mol. Its IUPAC name is [2-(1-adamantyl)-4-(4-ethenylphenyl)phenoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-(1-adamantyl)-4-(4-ethenylphenyl)phenoxy]-tert-butyl-dimethylsilane
PubChem CID11775139
Molecular FormulaC30H40OSi
Molecular Weight444.74 g/mol
Exact Mass444.28
IUPAC Name[2-(1-adamantyl)-4-(4-ethenylphenyl)phenoxy]-tert-butyl-dimethylsilane
SMILESC=Cc1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(C34CC5CC(CC(C5)C3)C4)c2)cc1
InChIInChI=1S/C30H40OSi/c1-7-21-8-10-25(11-9-21)26-12-13-28(31-32(5,6)29(2,3)4)27(17-26)30-18-22-14-23(19-30)16-24(15-22)20-30/h7-13,17,22-24H,1,14-16,18-20H2,2-6H3
InChIKeyHKPOAYYGJPEUBR-UHFFFAOYSA-N
XLogP8.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.74
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-(1-adamantyl)-4-(4-ethenylphenyl)phenoxy]-tert-butyl-dimethylsilane 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 [2-(1-adamantyl)-4-(4-ethenylphenyl)phenoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [2-(1-adamantyl)-4-(4-ethenylphenyl)phenoxy]-tert-butyl-dimethylsilane (CID 11775139) is [2-(1-adamantyl)-4-(4-ethenylphenyl)phenoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-(1-adamantyl)-4-(4-ethenylphenyl)phenoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [2-(1-adamantyl)-4-(4-ethenylphenyl)phenoxy]-tert-butyl-dimethylsilane is C=Cc1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(C34CC5CC(CC(C5)C3)C4)c2)cc1.
What is the InChIKey of [2-(1-adamantyl)-4-(4-ethenylphenyl)phenoxy]-tert-butyl-dimethylsilane?
The InChIKey is HKPOAYYGJPEUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40OSi/c1-7-21-8-10-25(11-9-21)26-12-13-28(31-32(5,6)29(2,3)4)27(17-26)30-18-22-14-23(19-30)16-24(15-22)20-30/h7-13,17,22-24H,1,14-16,18-20H2,2-6H3.
What are the key properties of [2-(1-adamantyl)-4-(4-ethenylphenyl)phenoxy]-tert-butyl-dimethylsilane?
[2-(1-adamantyl)-4-(4-ethenylphenyl)phenoxy]-tert-butyl-dimethylsilane has a molecular weight of 444.74 g/mol, XLogP of 8.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantyl)-4-(4-ethenylphenyl)phenoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11775139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).