6-benzhydryl-2,2-dimethyloxasilinane

C19H24OSi — CID 90189938

IUPAC6-benzhydryl-2,2-dimethyloxasilinane
SMILESC[Si]1(C)CCCC(C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C19H24OSi/c1-21(2)15-9-14-18(20-21)19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18-19H,9,14-15H2,1-2H3
InChIKeyUPJQKSKFAIQBGS-UHFFFAOYSA-N
MW296.49 g/mol
LogP5.20
Rot. Bonds3

About 6-benzhydryl-2,2-dimethyloxasilinane

6-benzhydryl-2,2-dimethyloxasilinane (PubChem CID 90189938) has the molecular formula C19H24OSi and a molecular weight of 296.49 g/mol. Its IUPAC name is 6-benzhydryl-2,2-dimethyloxasilinane.

Molecular Properties

Compound Name6-benzhydryl-2,2-dimethyloxasilinane
PubChem CID90189938
Molecular FormulaC19H24OSi
Molecular Weight296.49 g/mol
Exact Mass296.16
IUPAC Name6-benzhydryl-2,2-dimethyloxasilinane
SMILESC[Si]1(C)CCCC(C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C19H24OSi/c1-21(2)15-9-14-18(20-21)19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18-19H,9,14-15H2,1-2H3
InChIKeyUPJQKSKFAIQBGS-UHFFFAOYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.49
LogP ≤ 55.20
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 6-benzhydryl-2,2-dimethyloxasilinane?
The IUPAC name of 6-benzhydryl-2,2-dimethyloxasilinane (CID 90189938) is 6-benzhydryl-2,2-dimethyloxasilinane.
What is the SMILES notation for 6-benzhydryl-2,2-dimethyloxasilinane?
The canonical SMILES for 6-benzhydryl-2,2-dimethyloxasilinane is C[Si]1(C)CCCC(C(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of 6-benzhydryl-2,2-dimethyloxasilinane?
The InChIKey is UPJQKSKFAIQBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24OSi/c1-21(2)15-9-14-18(20-21)19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18-19H,9,14-15H2,1-2H3.
What are the key properties of 6-benzhydryl-2,2-dimethyloxasilinane?
6-benzhydryl-2,2-dimethyloxasilinane has a molecular weight of 296.49 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzhydryl-2,2-dimethyloxasilinane is sourced from PubChem (CID 90189938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).