(2R,6S)-1,1-dimethyl-2,6-diphenylsilinan-4-one

C19H22OSi — CID 13022119

IUPAC(2R,6S)-1,1-dimethyl-2,6-diphenylsilinan-4-one
SMILESC[Si]1(C)[C@@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1
InChIInChI=1S/C19H22OSi/c1-21(2)18(15-9-5-3-6-10-15)13-17(20)14-19(21)16-11-7-4-8-12-16/h3-12,18-19H,13-14H2,1-2H3/t18-,19+
InChIKeyGWISOFZOPBFYKO-KDURUIRLSA-N
MW294.47 g/mol
LogP4.70
Rot. Bonds2

About (2R,6S)-1,1-dimethyl-2,6-diphenylsilinan-4-one

(2R,6S)-1,1-dimethyl-2,6-diphenylsilinan-4-one (PubChem CID 13022119) has the molecular formula C19H22OSi and a molecular weight of 294.47 g/mol. Its IUPAC name is (2R,6S)-1,1-dimethyl-2,6-diphenylsilinan-4-one.

Molecular Properties

Compound Name(2R,6S)-1,1-dimethyl-2,6-diphenylsilinan-4-one
PubChem CID13022119
Molecular FormulaC19H22OSi
Molecular Weight294.47 g/mol
Exact Mass294.14
IUPAC Name(2R,6S)-1,1-dimethyl-2,6-diphenylsilinan-4-one
SMILESC[Si]1(C)[C@@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1
InChIInChI=1S/C19H22OSi/c1-21(2)18(15-9-5-3-6-10-15)13-17(20)14-19(21)16-11-7-4-8-12-16/h3-12,18-19H,13-14H2,1-2H3/t18-,19+
InChIKeyGWISOFZOPBFYKO-KDURUIRLSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 54.70
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 (2R,6S)-1,1-dimethyl-2,6-diphenylsilinan-4-one?
The IUPAC name of (2R,6S)-1,1-dimethyl-2,6-diphenylsilinan-4-one (CID 13022119) is (2R,6S)-1,1-dimethyl-2,6-diphenylsilinan-4-one.
What is the SMILES notation for (2R,6S)-1,1-dimethyl-2,6-diphenylsilinan-4-one?
The canonical SMILES for (2R,6S)-1,1-dimethyl-2,6-diphenylsilinan-4-one is C[Si]1(C)[C@@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1.
What is the InChIKey of (2R,6S)-1,1-dimethyl-2,6-diphenylsilinan-4-one?
The InChIKey is GWISOFZOPBFYKO-KDURUIRLSA-N. The full InChI is InChI=1S/C19H22OSi/c1-21(2)18(15-9-5-3-6-10-15)13-17(20)14-19(21)16-11-7-4-8-12-16/h3-12,18-19H,13-14H2,1-2H3/t18-,19+.
What are the key properties of (2R,6S)-1,1-dimethyl-2,6-diphenylsilinan-4-one?
(2R,6S)-1,1-dimethyl-2,6-diphenylsilinan-4-one has a molecular weight of 294.47 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1,1-dimethyl-2,6-diphenylsilinan-4-one is sourced from PubChem (CID 13022119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).