[acetyloxy(phenylsilyl)methyl] acetate

C11H14O4Si — CID 123293163

IUPAC[acetyloxy(phenylsilyl)methyl] acetate
SMILESCC(=O)OC(OC(C)=O)[SiH2]c1ccccc1
InChIInChI=1S/C11H14O4Si/c1-8(12)14-11(15-9(2)13)16-10-6-4-3-5-7-10/h3-7,11H,16H2,1-2H3
InChIKeyZJLDUKQGIPJTGB-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.11
Rot. Bonds4

About [acetyloxy(phenylsilyl)methyl] acetate

[acetyloxy(phenylsilyl)methyl] acetate (PubChem CID 123293163) has the molecular formula C11H14O4Si and a molecular weight of 238.31 g/mol. Its IUPAC name is [acetyloxy(phenylsilyl)methyl] acetate.

Molecular Properties

Compound Name[acetyloxy(phenylsilyl)methyl] acetate
PubChem CID123293163
Molecular FormulaC11H14O4Si
Molecular Weight238.31 g/mol
Exact Mass238.07
IUPAC Name[acetyloxy(phenylsilyl)methyl] acetate
SMILESCC(=O)OC(OC(C)=O)[SiH2]c1ccccc1
InChIInChI=1S/C11H14O4Si/c1-8(12)14-11(15-9(2)13)16-10-6-4-3-5-7-10/h3-7,11H,16H2,1-2H3
InChIKeyZJLDUKQGIPJTGB-UHFFFAOYSA-N
XLogP-0.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
[(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate
CID 11776874
[(1R)-1-phenylsulfanylprop-2-enyl] acetate
CID 125464397
benzhydryl acetate;hydrazine
CID 122610283
1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate
CID 174625621
2-acetyloxy-2-(6-chloro-2-pyridinyl)acetic acid
CID 19760379
[(1R)-1-naphthalen-1-ylethyl] acetate
CID 13082477
bis(2,3-diacetyloxybutanedioic acid);phthalic acid
CID 175286949
[(1S)-1-(2-methylphenyl)ethyl] acetate
CID 102370508
[(1R)-1-(2-methylphenyl)ethyl] acetate
CID 11062959
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
[1-(benzenesulfonamido)-2,2,2-trichloroethyl] acetate
CID 3068217

Frequently Asked Questions

What is the IUPAC name of [acetyloxy(phenylsilyl)methyl] acetate?
The IUPAC name of [acetyloxy(phenylsilyl)methyl] acetate (CID 123293163) is [acetyloxy(phenylsilyl)methyl] acetate.
What is the SMILES notation for [acetyloxy(phenylsilyl)methyl] acetate?
The canonical SMILES for [acetyloxy(phenylsilyl)methyl] acetate is CC(=O)OC(OC(C)=O)[SiH2]c1ccccc1.
What is the InChIKey of [acetyloxy(phenylsilyl)methyl] acetate?
The InChIKey is ZJLDUKQGIPJTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4Si/c1-8(12)14-11(15-9(2)13)16-10-6-4-3-5-7-10/h3-7,11H,16H2,1-2H3.
What are the key properties of [acetyloxy(phenylsilyl)methyl] acetate?
[acetyloxy(phenylsilyl)methyl] acetate has a molecular weight of 238.31 g/mol, XLogP of -0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(phenylsilyl)methyl] acetate is sourced from PubChem (CID 123293163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).