[2,2-dimethyl-6-(4-methylphenyl)oxasilinan-5-yl]-phenylmethanone

C20H24O2Si — CID 102373559

IUPAC[2,2-dimethyl-6-(4-methylphenyl)oxasilinan-5-yl]-phenylmethanone
SMILESCc1ccc(C2O[Si](C)(C)CCC2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H24O2Si/c1-15-9-11-17(12-10-15)20-18(13-14-23(2,3)22-20)19(21)16-7-5-4-6-8-16/h4-12,18,20H,13-14H2,1-3H3
InChIKeyQGVSFMYYCQAAFM-UHFFFAOYSA-N
MW324.50 g/mol
LogP5.16
Rot. Bonds3

About [2,2-dimethyl-6-(4-methylphenyl)oxasilinan-5-yl]-phenylmethanone

[2,2-dimethyl-6-(4-methylphenyl)oxasilinan-5-yl]-phenylmethanone (PubChem CID 102373559) has the molecular formula C20H24O2Si and a molecular weight of 324.50 g/mol. Its IUPAC name is [2,2-dimethyl-6-(4-methylphenyl)oxasilinan-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2,2-dimethyl-6-(4-methylphenyl)oxasilinan-5-yl]-phenylmethanone
PubChem CID102373559
Molecular FormulaC20H24O2Si
Molecular Weight324.50 g/mol
Exact Mass324.15
IUPAC Name[2,2-dimethyl-6-(4-methylphenyl)oxasilinan-5-yl]-phenylmethanone
SMILESCc1ccc(C2O[Si](C)(C)CCC2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H24O2Si/c1-15-9-11-17(12-10-15)20-18(13-14-23(2,3)22-20)19(21)16-7-5-4-6-8-16/h4-12,18,20H,13-14H2,1-3H3
InChIKeyQGVSFMYYCQAAFM-UHFFFAOYSA-N
XLogP5.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.50
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [2,2-dimethyl-6-(4-methylphenyl)oxasilinan-5-yl]-phenylmethanone?
The IUPAC name of [2,2-dimethyl-6-(4-methylphenyl)oxasilinan-5-yl]-phenylmethanone (CID 102373559) is [2,2-dimethyl-6-(4-methylphenyl)oxasilinan-5-yl]-phenylmethanone.
What is the SMILES notation for [2,2-dimethyl-6-(4-methylphenyl)oxasilinan-5-yl]-phenylmethanone?
The canonical SMILES for [2,2-dimethyl-6-(4-methylphenyl)oxasilinan-5-yl]-phenylmethanone is Cc1ccc(C2O[Si](C)(C)CCC2C(=O)c2ccccc2)cc1.
What is the InChIKey of [2,2-dimethyl-6-(4-methylphenyl)oxasilinan-5-yl]-phenylmethanone?
The InChIKey is QGVSFMYYCQAAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2Si/c1-15-9-11-17(12-10-15)20-18(13-14-23(2,3)22-20)19(21)16-7-5-4-6-8-16/h4-12,18,20H,13-14H2,1-3H3.
What are the key properties of [2,2-dimethyl-6-(4-methylphenyl)oxasilinan-5-yl]-phenylmethanone?
[2,2-dimethyl-6-(4-methylphenyl)oxasilinan-5-yl]-phenylmethanone has a molecular weight of 324.50 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-6-(4-methylphenyl)oxasilinan-5-yl]-phenylmethanone is sourced from PubChem (CID 102373559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).