(2-trimethylsilylphenyl) acetate

C11H16O2Si — CID 13101762

IUPAC(2-trimethylsilylphenyl) acetate
SMILESCC(=O)Oc1ccccc1[Si](C)(C)C
InChIInChI=1S/C11H16O2Si/c1-9(12)13-10-7-5-6-8-11(10)14(2,3)4/h5-8H,1-4H3
InChIKeyHLVHPQOSDVCDOD-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.16
Rot. Bonds2

About (2-trimethylsilylphenyl) acetate

(2-trimethylsilylphenyl) acetate (PubChem CID 13101762) has the molecular formula C11H16O2Si and a molecular weight of 208.33 g/mol. Its IUPAC name is (2-trimethylsilylphenyl) acetate.

Molecular Properties

Compound Name(2-trimethylsilylphenyl) acetate
PubChem CID13101762
Molecular FormulaC11H16O2Si
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name(2-trimethylsilylphenyl) acetate
SMILESCC(=O)Oc1ccccc1[Si](C)(C)C
InChIInChI=1S/C11H16O2Si/c1-9(12)13-10-7-5-6-8-11(10)14(2,3)4/h5-8H,1-4H3
InChIKeyHLVHPQOSDVCDOD-UHFFFAOYSA-N
XLogP2.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-trimethylsilylphenyl) carbamate
CID 68854003
[2-[(E)-3-oxoprop-1-enyl]phenyl] acetate
CID 6069153
triphenylen-1-yl acetate
CID 87276472
[2-[2-[dimethyl(trimethylsilyl)silyl]ethynyl]phenyl] acetate
CID 100978052
(3-acetyloxy-2-phenyldiazenylphenyl) acetate
CID 134935103
2,6-diacetyloxybenzoic acid
CID 10007406
(2-acetyloxybenzoyl)-sulfanylazanium
CID 173416352
potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
2-acetyloxybenzoic acid;ethene
CID 67877309
chloro 2-trimethylsilylbenzoate
CID 174392762
acetyl acetate;(2-fluorophenyl) acetate
CID 158232558
[2-[(E)-2-bis(trimethylsilyloxy)phosphorylethenyl]phenyl] acetate
CID 67350760

Frequently Asked Questions

What is the IUPAC name of (2-trimethylsilylphenyl) acetate?
The IUPAC name of (2-trimethylsilylphenyl) acetate (CID 13101762) is (2-trimethylsilylphenyl) acetate.
What is the SMILES notation for (2-trimethylsilylphenyl) acetate?
The canonical SMILES for (2-trimethylsilylphenyl) acetate is CC(=O)Oc1ccccc1[Si](C)(C)C.
What is the InChIKey of (2-trimethylsilylphenyl) acetate?
The InChIKey is HLVHPQOSDVCDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2Si/c1-9(12)13-10-7-5-6-8-11(10)14(2,3)4/h5-8H,1-4H3.
What are the key properties of (2-trimethylsilylphenyl) acetate?
(2-trimethylsilylphenyl) acetate has a molecular weight of 208.33 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-trimethylsilylphenyl) acetate is sourced from PubChem (CID 13101762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).