triethylsilyl 2-(diacetyloxymethyl)benzoate

C18H26O6Si — CID 162196820

IUPACtriethylsilyl 2-(diacetyloxymethyl)benzoate
SMILESCC[Si](CC)(CC)OC(=O)c1ccccc1C(OC(C)=O)OC(C)=O
InChIInChI=1S/C18H26O6Si/c1-6-25(7-2,8-3)24-17(21)15-11-9-10-12-16(15)18(22-13(4)19)23-14(5)20/h9-12,18H,6-8H2,1-5H3
InChIKeyKKUBYWVJOJHBED-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.97
Rot. Bonds8

About triethylsilyl 2-(diacetyloxymethyl)benzoate

triethylsilyl 2-(diacetyloxymethyl)benzoate (PubChem CID 162196820) has the molecular formula C18H26O6Si and a molecular weight of 366.49 g/mol. Its IUPAC name is triethylsilyl 2-(diacetyloxymethyl)benzoate.

Molecular Properties

Compound Nametriethylsilyl 2-(diacetyloxymethyl)benzoate
PubChem CID162196820
Molecular FormulaC18H26O6Si
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Nametriethylsilyl 2-(diacetyloxymethyl)benzoate
SMILESCC[Si](CC)(CC)OC(=O)c1ccccc1C(OC(C)=O)OC(C)=O
InChIInChI=1S/C18H26O6Si/c1-6-25(7-2,8-3)24-17(21)15-11-9-10-12-16(15)18(22-13(4)19)23-14(5)20/h9-12,18H,6-8H2,1-5H3
InChIKeyKKUBYWVJOJHBED-UHFFFAOYSA-N
XLogP3.97
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

triethylsilyl 2-methylbenzoate
CID 102243806
[diethyl(methyl)silyl] 2-[bis[(2,2,2-trichloroacetyl)oxy]methyl]benzoate
CID 162196818
acetyloxymethyl 2-(1,2-diacetyloxyethyl)benzoate
CID 123486670
methyl 2-[acetyloxy(chloro)methyl]benzoate
CID 140615653
1-(2-acetylphenyl)but-2-ynyl acetate
CID 102041122
2-[(1S)-1-acetyloxypentyl]benzoic acid
CID 71606428
trimethylsilyl 2-(diethylcarbamoyl)benzoate
CID 12716767
ethyl 2-[acetyloxy-(2-bromophenyl)methyl]prop-2-enoate
CID 23649686
triethylsilyl naphthalene-1-carboperoxoate
CID 158926273
[(1R)-1-naphthalen-1-ylethyl] acetate
CID 13082477
[1-(benzotriazol-2-yl)-2,2-dimethylpropyl] acetate
CID 3721873
1-acetyloxyethyl 2-chlorobenzoate
CID 122391489

Frequently Asked Questions

What is the IUPAC name of triethylsilyl 2-(diacetyloxymethyl)benzoate?
The IUPAC name of triethylsilyl 2-(diacetyloxymethyl)benzoate (CID 162196820) is triethylsilyl 2-(diacetyloxymethyl)benzoate.
What is the SMILES notation for triethylsilyl 2-(diacetyloxymethyl)benzoate?
The canonical SMILES for triethylsilyl 2-(diacetyloxymethyl)benzoate is CC[Si](CC)(CC)OC(=O)c1ccccc1C(OC(C)=O)OC(C)=O.
What is the InChIKey of triethylsilyl 2-(diacetyloxymethyl)benzoate?
The InChIKey is KKUBYWVJOJHBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O6Si/c1-6-25(7-2,8-3)24-17(21)15-11-9-10-12-16(15)18(22-13(4)19)23-14(5)20/h9-12,18H,6-8H2,1-5H3.
What are the key properties of triethylsilyl 2-(diacetyloxymethyl)benzoate?
triethylsilyl 2-(diacetyloxymethyl)benzoate has a molecular weight of 366.49 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 2-(diacetyloxymethyl)benzoate is sourced from PubChem (CID 162196820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).