2-phenylethylsilyl acetate

C10H14O2Si — CID 175587569

IUPAC2-phenylethylsilyl acetate
SMILESCC(=O)O[SiH2]CCc1ccccc1
InChIInChI=1S/C10H14O2Si/c1-9(11)12-13-8-7-10-5-3-2-4-6-10/h2-6H,7-8,13H2,1H3
InChIKeyDOZCBMOQGSQGSV-UHFFFAOYSA-N
MW194.31 g/mol
LogP1.29
Rot. Bonds4

About 2-phenylethylsilyl acetate

2-phenylethylsilyl acetate (PubChem CID 175587569) has the molecular formula C10H14O2Si and a molecular weight of 194.31 g/mol. Its IUPAC name is 2-phenylethylsilyl acetate.

Molecular Properties

Compound Name2-phenylethylsilyl acetate
PubChem CID175587569
Molecular FormulaC10H14O2Si
Molecular Weight194.31 g/mol
Exact Mass194.08
IUPAC Name2-phenylethylsilyl acetate
SMILESCC(=O)O[SiH2]CCc1ccccc1
InChIInChI=1S/C10H14O2Si/c1-9(11)12-13-8-7-10-5-3-2-4-6-10/h2-6H,7-8,13H2,1H3
InChIKeyDOZCBMOQGSQGSV-UHFFFAOYSA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.31
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-phenylethyl acetate
CID 7654
2-(2-phenylethylsilyloxy)ethyl propanoate
CID 154195963
acetic acid;2-phenylethyl acetate
CID 174791962
N,N-dimethylmethanamine;2-phenylethyl acetate
CID 67859846
[acetyloxy-methyl-(2-phenylethyl)silyl] acetate
CID 54139822
benzyl acetate
CID 8785
(1-acetyloxy-4-phenylbutyl) acetate
CID 15889700
methyl(2-phenylethyl)silane;dihydrochloride
CID 172678785
acetyl 5-phenylpentanoate
CID 173141097
acetamide;propylbenzene
CID 142238516
5-phenylpentan-2-one
CID 16701
methyl acetate;phenylmethanol
CID 174674344

Frequently Asked Questions

What is the IUPAC name of 2-phenylethylsilyl acetate?
The IUPAC name of 2-phenylethylsilyl acetate (CID 175587569) is 2-phenylethylsilyl acetate.
What is the SMILES notation for 2-phenylethylsilyl acetate?
The canonical SMILES for 2-phenylethylsilyl acetate is CC(=O)O[SiH2]CCc1ccccc1.
What is the InChIKey of 2-phenylethylsilyl acetate?
The InChIKey is DOZCBMOQGSQGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2Si/c1-9(11)12-13-8-7-10-5-3-2-4-6-10/h2-6H,7-8,13H2,1H3.
What are the key properties of 2-phenylethylsilyl acetate?
2-phenylethylsilyl acetate has a molecular weight of 194.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethylsilyl acetate is sourced from PubChem (CID 175587569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).