[propan-2-yl-(2,4,6-trimethylbenzoyl)-trimethylsilylsilyl]-(2,4,6-trimethylphenyl)methanone

C26H38O2Si2 — CID 102047180

IUPAC[propan-2-yl-(2,4,6-trimethylbenzoyl)-trimethylsilylsilyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)[Si](C(=O)c2c(C)cc(C)cc2C)(C(C)C)[Si](C)(C)C)c(C)c1
InChIInChI=1S/C26H38O2Si2/c1-16(2)30(29(9,10)11,25(27)23-19(5)12-17(3)13-20(23)6)26(28)24-21(7)14-18(4)15-22(24)8/h12-16H,1-11H3
InChIKeyMHTSPSKPABLMHW-UHFFFAOYSA-N
MW438.76 g/mol
LogP6.96
Rot. Bonds6

About [propan-2-yl-(2,4,6-trimethylbenzoyl)-trimethylsilylsilyl]-(2,4,6-trimethylphenyl)methanone

[propan-2-yl-(2,4,6-trimethylbenzoyl)-trimethylsilylsilyl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 102047180) has the molecular formula C26H38O2Si2 and a molecular weight of 438.76 g/mol. Its IUPAC name is [propan-2-yl-(2,4,6-trimethylbenzoyl)-trimethylsilylsilyl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[propan-2-yl-(2,4,6-trimethylbenzoyl)-trimethylsilylsilyl]-(2,4,6-trimethylphenyl)methanone
PubChem CID102047180
Molecular FormulaC26H38O2Si2
Molecular Weight438.76 g/mol
Exact Mass438.24
IUPAC Name[propan-2-yl-(2,4,6-trimethylbenzoyl)-trimethylsilylsilyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)[Si](C(=O)c2c(C)cc(C)cc2C)(C(C)C)[Si](C)(C)C)c(C)c1
InChIInChI=1S/C26H38O2Si2/c1-16(2)30(29(9,10)11,25(27)23-19(5)12-17(3)13-20(23)6)26(28)24-21(7)14-18(4)15-22(24)8/h12-16H,1-11H3
InChIKeyMHTSPSKPABLMHW-UHFFFAOYSA-N
XLogP6.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.76
LogP ≤ 56.96
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 [propan-2-yl-(2,4,6-trimethylbenzoyl)-trimethylsilylsilyl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [propan-2-yl-(2,4,6-trimethylbenzoyl)-trimethylsilylsilyl]-(2,4,6-trimethylphenyl)methanone (CID 102047180) is [propan-2-yl-(2,4,6-trimethylbenzoyl)-trimethylsilylsilyl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [propan-2-yl-(2,4,6-trimethylbenzoyl)-trimethylsilylsilyl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [propan-2-yl-(2,4,6-trimethylbenzoyl)-trimethylsilylsilyl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)[Si](C(=O)c2c(C)cc(C)cc2C)(C(C)C)[Si](C)(C)C)c(C)c1.
What is the InChIKey of [propan-2-yl-(2,4,6-trimethylbenzoyl)-trimethylsilylsilyl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is MHTSPSKPABLMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2Si2/c1-16(2)30(29(9,10)11,25(27)23-19(5)12-17(3)13-20(23)6)26(28)24-21(7)14-18(4)15-22(24)8/h12-16H,1-11H3.
What are the key properties of [propan-2-yl-(2,4,6-trimethylbenzoyl)-trimethylsilylsilyl]-(2,4,6-trimethylphenyl)methanone?
[propan-2-yl-(2,4,6-trimethylbenzoyl)-trimethylsilylsilyl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 438.76 g/mol, XLogP of 6.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [propan-2-yl-(2,4,6-trimethylbenzoyl)-trimethylsilylsilyl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 102047180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).