1-adamantyl(benzhydryloxy)silane

C23H28OSi — CID 154199253

IUPAC1-adamantyl(benzhydryloxy)silane
SMILESc1ccc(C(O[SiH2]C23CC4CC(CC(C4)C2)C3)c2ccccc2)cc1
InChIInChI=1S/C23H28OSi/c1-3-7-20(8-4-1)22(21-9-5-2-6-10-21)24-25-23-14-17-11-18(15-23)13-19(12-17)16-23/h1-10,17-19,22H,11-16,25H2
InChIKeyUDZNQLFSFDNWDU-UHFFFAOYSA-N
MW348.56 g/mol
LogP5.27
Rot. Bonds5

About 1-adamantyl(benzhydryloxy)silane

1-adamantyl(benzhydryloxy)silane (PubChem CID 154199253) has the molecular formula C23H28OSi and a molecular weight of 348.56 g/mol. Its IUPAC name is 1-adamantyl(benzhydryloxy)silane.

Molecular Properties

Compound Name1-adamantyl(benzhydryloxy)silane
PubChem CID154199253
Molecular FormulaC23H28OSi
Molecular Weight348.56 g/mol
Exact Mass348.19
IUPAC Name1-adamantyl(benzhydryloxy)silane
SMILESc1ccc(C(O[SiH2]C23CC4CC(CC(C4)C2)C3)c2ccccc2)cc1
InChIInChI=1S/C23H28OSi/c1-3-7-20(8-4-1)22(21-9-5-2-6-10-21)24-25-23-14-17-11-18(15-23)13-19(12-17)16-23/h1-10,17-19,22H,11-16,25H2
InChIKeyUDZNQLFSFDNWDU-UHFFFAOYSA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.56
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(benzhydryloxy)silane?
The IUPAC name of 1-adamantyl(benzhydryloxy)silane (CID 154199253) is 1-adamantyl(benzhydryloxy)silane.
What is the SMILES notation for 1-adamantyl(benzhydryloxy)silane?
The canonical SMILES for 1-adamantyl(benzhydryloxy)silane is c1ccc(C(O[SiH2]C23CC4CC(CC(C4)C2)C3)c2ccccc2)cc1.
What is the InChIKey of 1-adamantyl(benzhydryloxy)silane?
The InChIKey is UDZNQLFSFDNWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28OSi/c1-3-7-20(8-4-1)22(21-9-5-2-6-10-21)24-25-23-14-17-11-18(15-23)13-19(12-17)16-23/h1-10,17-19,22H,11-16,25H2.
What are the key properties of 1-adamantyl(benzhydryloxy)silane?
1-adamantyl(benzhydryloxy)silane has a molecular weight of 348.56 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(benzhydryloxy)silane is sourced from PubChem (CID 154199253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).