[diacetyloxy(2-phenylethynyl)silyl] acetate

C14H14O6Si — CID 18410611

IUPAC[diacetyloxy(2-phenylethynyl)silyl] acetate
SMILESCC(=O)O[Si](C#Cc1ccccc1)(OC(C)=O)OC(C)=O
InChIInChI=1S/C14H14O6Si/c1-11(15)18-21(19-12(2)16,20-13(3)17)10-9-14-7-5-4-6-8-14/h4-8H,1-3H3
InChIKeyHSGPAKIJEXXFLZ-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.21
Rot. Bonds3

About [diacetyloxy(2-phenylethynyl)silyl] acetate

[diacetyloxy(2-phenylethynyl)silyl] acetate (PubChem CID 18410611) has the molecular formula C14H14O6Si and a molecular weight of 306.35 g/mol. Its IUPAC name is [diacetyloxy(2-phenylethynyl)silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy(2-phenylethynyl)silyl] acetate
PubChem CID18410611
Molecular FormulaC14H14O6Si
Molecular Weight306.35 g/mol
Exact Mass306.06
IUPAC Name[diacetyloxy(2-phenylethynyl)silyl] acetate
SMILESCC(=O)O[Si](C#Cc1ccccc1)(OC(C)=O)OC(C)=O
InChIInChI=1S/C14H14O6Si/c1-11(15)18-21(19-12(2)16,20-13(3)17)10-9-14-7-5-4-6-8-14/h4-8H,1-3H3
InChIKeyHSGPAKIJEXXFLZ-UHFFFAOYSA-N
XLogP1.21
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethynyl-tri(propan-2-yloxy)silane
CID 18410636
4-phenylbut-1-en-3-yn-2-yl acetate
CID 15864474
[diacetyloxy(2-phenylethynyl)plumbyl] acetate
CID 16688007
(2-oxo-4-phenylbut-3-ynyl) acetate
CID 146011375
[3-acetyloxy-5-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl] acetate
CID 129303354
(4,4-dimethyl-1-phenylpent-1-yn-3-yl) acetate
CID 11345245
phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone
CID 15849413
2-methylbut-2-ene;2-phenylethynylbenzene
CID 143689109
[4-methyl-3-(2-phenylethynyl)pent-3-en-1-ynyl]benzene
CID 102191460
palladium;bis(3-phenylprop-2-ynoic acid)
CID 139238294
[[[acetyloxy(diphenyl)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl] acetate
CID 162512141
S-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ethanethioate
CID 59029892

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy(2-phenylethynyl)silyl] acetate?
The IUPAC name of [diacetyloxy(2-phenylethynyl)silyl] acetate (CID 18410611) is [diacetyloxy(2-phenylethynyl)silyl] acetate.
What is the SMILES notation for [diacetyloxy(2-phenylethynyl)silyl] acetate?
The canonical SMILES for [diacetyloxy(2-phenylethynyl)silyl] acetate is CC(=O)O[Si](C#Cc1ccccc1)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy(2-phenylethynyl)silyl] acetate?
The InChIKey is HSGPAKIJEXXFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O6Si/c1-11(15)18-21(19-12(2)16,20-13(3)17)10-9-14-7-5-4-6-8-14/h4-8H,1-3H3.
What are the key properties of [diacetyloxy(2-phenylethynyl)silyl] acetate?
[diacetyloxy(2-phenylethynyl)silyl] acetate has a molecular weight of 306.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy(2-phenylethynyl)silyl] acetate is sourced from PubChem (CID 18410611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).