benzyl [(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]formate

C24H36O3Si3 — CID 100937357

IUPACbenzyl [(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]formate
SMILESCc1cc(C)c(C(=O)[Si](C(=O)OCc2ccccc2)([Si](C)(C)C)[Si](C)(C)C)c(C)c1
InChIInChI=1S/C24H36O3Si3/c1-18-15-19(2)22(20(3)16-18)23(25)30(28(4,5)6,29(7,8)9)24(26)27-17-21-13-11-10-12-14-21/h10-16H,17H2,1-9H3
InChIKeyWJMYCBFUSOKVEM-UHFFFAOYSA-N
MW456.81 g/mol
LogP6.53
Rot. Bonds7

About benzyl [(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]formate

benzyl [(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]formate (PubChem CID 100937357) has the molecular formula C24H36O3Si3 and a molecular weight of 456.81 g/mol. Its IUPAC name is benzyl [(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]formate.

Molecular Properties

Compound Namebenzyl [(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]formate
PubChem CID100937357
Molecular FormulaC24H36O3Si3
Molecular Weight456.81 g/mol
Exact Mass456.20
IUPAC Namebenzyl [(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]formate
SMILESCc1cc(C)c(C(=O)[Si](C(=O)OCc2ccccc2)([Si](C)(C)C)[Si](C)(C)C)c(C)c1
InChIInChI=1S/C24H36O3Si3/c1-18-15-19(2)22(20(3)16-18)23(25)30(28(4,5)6,29(7,8)9)24(26)27-17-21-13-11-10-12-14-21/h10-16H,17H2,1-9H3
InChIKeyWJMYCBFUSOKVEM-UHFFFAOYSA-N
XLogP6.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.81
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-1-[(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]propan-1-one
CID 11036939
benzyl 3,5-dimethylbenzoate
CID 54359872
2-trimethylsilylethyl 2,4-dimethyl-6-(phenylmethoxycarbonylamino)benzoate
CID 58304668
benzyl 2,4-dimethylbenzoate;dihydrochloride
CID 156703415
dibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate
CID 170190396
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7472786
2-phenylmethoxyethoxyphosphanyl-(2,4,6-trimethylphenyl)methanone
CID 141016120
benzyl 2-trimethylsilylprop-2-enoate
CID 14946722
benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 78775976
benzyl (4R,5S)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate
CID 98745565
(Z)-3-phenylmethoxybut-2-enoic acid
CID 101194164
benzyl carbonochloridate;toluene
CID 86663382

Frequently Asked Questions

What is the IUPAC name of benzyl [(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]formate?
The IUPAC name of benzyl [(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]formate (CID 100937357) is benzyl [(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]formate.
What is the SMILES notation for benzyl [(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]formate?
The canonical SMILES for benzyl [(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]formate is Cc1cc(C)c(C(=O)[Si](C(=O)OCc2ccccc2)([Si](C)(C)C)[Si](C)(C)C)c(C)c1.
What is the InChIKey of benzyl [(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]formate?
The InChIKey is WJMYCBFUSOKVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O3Si3/c1-18-15-19(2)22(20(3)16-18)23(25)30(28(4,5)6,29(7,8)9)24(26)27-17-21-13-11-10-12-14-21/h10-16H,17H2,1-9H3.
What are the key properties of benzyl [(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]formate?
benzyl [(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]formate has a molecular weight of 456.81 g/mol, XLogP of 6.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]formate is sourced from PubChem (CID 100937357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).