2,2-dimethyl-1-[(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]propan-1-one

C21H38O2Si3 — CID 11036939

IUPAC2,2-dimethyl-1-[(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]propan-1-one
SMILESCc1cc(C)c(C(=O)[Si](C(=O)C(C)(C)C)([Si](C)(C)C)[Si](C)(C)C)c(C)c1
InChIInChI=1S/C21H38O2Si3/c1-15-13-16(2)18(17(3)14-15)19(22)26(24(7,8)9,25(10,11)12)20(23)21(4,5)6/h13-14H,1-12H3
InChIKeyHXVHBDWJBJWNRX-UHFFFAOYSA-N
MW406.79 g/mol
LogP5.77
Rot. Bonds5

About 2,2-dimethyl-1-[(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]propan-1-one

2,2-dimethyl-1-[(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]propan-1-one (PubChem CID 11036939) has the molecular formula C21H38O2Si3 and a molecular weight of 406.79 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]propan-1-one
PubChem CID11036939
Molecular FormulaC21H38O2Si3
Molecular Weight406.79 g/mol
Exact Mass406.22
IUPAC Name2,2-dimethyl-1-[(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]propan-1-one
SMILESCc1cc(C)c(C(=O)[Si](C(=O)C(C)(C)C)([Si](C)(C)C)[Si](C)(C)C)c(C)c1
InChIInChI=1S/C21H38O2Si3/c1-15-13-16(2)18(17(3)14-15)19(22)26(24(7,8)9,25(10,11)12)20(23)21(4,5)6/h13-14H,1-12H3
InChIKeyHXVHBDWJBJWNRX-UHFFFAOYSA-N
XLogP5.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.79
LogP ≤ 55.77
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-1-[(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]propan-1-one (CID 11036939) is 2,2-dimethyl-1-[(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]propan-1-one is Cc1cc(C)c(C(=O)[Si](C(=O)C(C)(C)C)([Si](C)(C)C)[Si](C)(C)C)c(C)c1.
What is the InChIKey of 2,2-dimethyl-1-[(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]propan-1-one?
The InChIKey is HXVHBDWJBJWNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O2Si3/c1-15-13-16(2)18(17(3)14-15)19(22)26(24(7,8)9,25(10,11)12)20(23)21(4,5)6/h13-14H,1-12H3.
What are the key properties of 2,2-dimethyl-1-[(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]propan-1-one?
2,2-dimethyl-1-[(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]propan-1-one has a molecular weight of 406.79 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]propan-1-one is sourced from PubChem (CID 11036939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).