[diethoxy-(4-methylbenzoyl)silyl]-(4-methylphenyl)methanone

C20H24O4Si — CID 19902442

IUPAC[diethoxy-(4-methylbenzoyl)silyl]-(4-methylphenyl)methanone
SMILESCCO[Si](OCC)(C(=O)c1ccc(C)cc1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24O4Si/c1-5-23-25(24-6-2,19(21)17-11-7-15(3)8-12-17)20(22)18-13-9-16(4)10-14-18/h7-14H,5-6H2,1-4H3
InChIKeyHTBVSJPSZRDQNS-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.96
Rot. Bonds8

About [diethoxy-(4-methylbenzoyl)silyl]-(4-methylphenyl)methanone

[diethoxy-(4-methylbenzoyl)silyl]-(4-methylphenyl)methanone (PubChem CID 19902442) has the molecular formula C20H24O4Si and a molecular weight of 356.49 g/mol. Its IUPAC name is [diethoxy-(4-methylbenzoyl)silyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[diethoxy-(4-methylbenzoyl)silyl]-(4-methylphenyl)methanone
PubChem CID19902442
Molecular FormulaC20H24O4Si
Molecular Weight356.49 g/mol
Exact Mass356.14
IUPAC Name[diethoxy-(4-methylbenzoyl)silyl]-(4-methylphenyl)methanone
SMILESCCO[Si](OCC)(C(=O)c1ccc(C)cc1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24O4Si/c1-5-23-25(24-6-2,19(21)17-11-7-15(3)8-12-17)20(22)18-13-9-16(4)10-14-18/h7-14H,5-6H2,1-4H3
InChIKeyHTBVSJPSZRDQNS-UHFFFAOYSA-N
XLogP3.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)-trimethylsilylmethanone
CID 3464459
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
diethyl 2-[amino-(4-methylphenyl)methylidene]propanedioate
CID 174582016
ethyl (E)-2-(4-methylphenyl)but-2-enoate
CID 88506230
ethyl 4-[(4-methylphenyl)methyl]benzoate
CID 53487512
ethyl (Z)-3-amino-3-(4-methylphenyl)prop-2-enoate
CID 12021527
ethyl 3,3-difluoro-2-(4-methylphenyl)prop-2-enoate
CID 25002773
ethyl 3-hydroxy-3-(4-methylphenyl)prop-2-enoate
CID 71356233
ethyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate
CID 71440543
ethyl 4-(4-methylphenyl)-2,4-dioxobutanoate
CID 595052
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 18428766

Frequently Asked Questions

What is the IUPAC name of [diethoxy-(4-methylbenzoyl)silyl]-(4-methylphenyl)methanone?
The IUPAC name of [diethoxy-(4-methylbenzoyl)silyl]-(4-methylphenyl)methanone (CID 19902442) is [diethoxy-(4-methylbenzoyl)silyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [diethoxy-(4-methylbenzoyl)silyl]-(4-methylphenyl)methanone?
The canonical SMILES for [diethoxy-(4-methylbenzoyl)silyl]-(4-methylphenyl)methanone is CCO[Si](OCC)(C(=O)c1ccc(C)cc1)C(=O)c1ccc(C)cc1.
What is the InChIKey of [diethoxy-(4-methylbenzoyl)silyl]-(4-methylphenyl)methanone?
The InChIKey is HTBVSJPSZRDQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4Si/c1-5-23-25(24-6-2,19(21)17-11-7-15(3)8-12-17)20(22)18-13-9-16(4)10-14-18/h7-14H,5-6H2,1-4H3.
What are the key properties of [diethoxy-(4-methylbenzoyl)silyl]-(4-methylphenyl)methanone?
[diethoxy-(4-methylbenzoyl)silyl]-(4-methylphenyl)methanone has a molecular weight of 356.49 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxy-(4-methylbenzoyl)silyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 19902442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).