[diacetyloxy(phenyl)silyl] 2-butoxyacetate

C16H22O7Si — CID 163704252

IUPAC[diacetyloxy(phenyl)silyl] 2-butoxyacetate
SMILESCCCCOCC(=O)O[Si](OC(C)=O)(OC(C)=O)c1ccccc1
InChIInChI=1S/C16H22O7Si/c1-4-5-11-20-12-16(19)23-24(21-13(2)17,22-14(3)18)15-9-7-6-8-10-15/h6-10H,4-5,11-12H2,1-3H3
InChIKeyKDQRLRTYROFVKJ-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.32
Rot. Bonds9

About [diacetyloxy(phenyl)silyl] 2-butoxyacetate

[diacetyloxy(phenyl)silyl] 2-butoxyacetate (PubChem CID 163704252) has the molecular formula C16H22O7Si and a molecular weight of 354.43 g/mol. Its IUPAC name is [diacetyloxy(phenyl)silyl] 2-butoxyacetate.

Molecular Properties

Compound Name[diacetyloxy(phenyl)silyl] 2-butoxyacetate
PubChem CID163704252
Molecular FormulaC16H22O7Si
Molecular Weight354.43 g/mol
Exact Mass354.11
IUPAC Name[diacetyloxy(phenyl)silyl] 2-butoxyacetate
SMILESCCCCOCC(=O)O[Si](OC(C)=O)(OC(C)=O)c1ccccc1
InChIInChI=1S/C16H22O7Si/c1-4-5-11-20-12-16(19)23-24(21-13(2)17,22-14(3)18)15-9-7-6-8-10-15/h6-10H,4-5,11-12H2,1-3H3
InChIKeyKDQRLRTYROFVKJ-UHFFFAOYSA-N
XLogP1.32
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[dimethoxy(phenyl)silyl] acetate
CID 66889787
2-(2-butoxyethoxy)-1-phenylethanone
CID 43800199
butyl 2-(2-phenoxyethoxy)acetate
CID 54941982
ethyl 2-(2-butoxyacetyl)oxy-3-phenylpropanoate
CID 123675340
acetic acid;butoxymethylbenzene
CID 139463153
[ethyl(diphenyl)silyl] acetate
CID 66773951
tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-phenylsilane
CID 101356645
3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene
CID 175197492
2-(2-butoxyethoxy)-1-(2-methylphenyl)ethanone
CID 43800169
acetic acid;butoxybenzene
CID 162338086
2-butoxyethyl acetate;2-phenoxyethyl acetate
CID 159790412
acetic acid;1-butoxybutane
CID 22256220

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy(phenyl)silyl] 2-butoxyacetate?
The IUPAC name of [diacetyloxy(phenyl)silyl] 2-butoxyacetate (CID 163704252) is [diacetyloxy(phenyl)silyl] 2-butoxyacetate.
What is the SMILES notation for [diacetyloxy(phenyl)silyl] 2-butoxyacetate?
The canonical SMILES for [diacetyloxy(phenyl)silyl] 2-butoxyacetate is CCCCOCC(=O)O[Si](OC(C)=O)(OC(C)=O)c1ccccc1.
What is the InChIKey of [diacetyloxy(phenyl)silyl] 2-butoxyacetate?
The InChIKey is KDQRLRTYROFVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O7Si/c1-4-5-11-20-12-16(19)23-24(21-13(2)17,22-14(3)18)15-9-7-6-8-10-15/h6-10H,4-5,11-12H2,1-3H3.
What are the key properties of [diacetyloxy(phenyl)silyl] 2-butoxyacetate?
[diacetyloxy(phenyl)silyl] 2-butoxyacetate has a molecular weight of 354.43 g/mol, XLogP of 1.32, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(phenyl)silyl] 2-butoxyacetate is sourced from PubChem (CID 163704252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).