ethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate

C17H28O2Si — CID 135062979

IUPACethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate
SMILESCCOC(=O)C(c1ccc(CC(C)C)cc1)[Si](C)(C)C
InChIInChI=1S/C17H28O2Si/c1-7-19-17(18)16(20(4,5)6)15-10-8-14(9-11-15)12-13(2)3/h8-11,13,16H,7,12H2,1-6H3
InChIKeyACNSXJBWCOJSFO-UHFFFAOYSA-N
MW292.50 g/mol
LogP4.41
Rot. Bonds6

About ethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate

ethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate (PubChem CID 135062979) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is ethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate
PubChem CID135062979
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Nameethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate
SMILESCCOC(=O)C(c1ccc(CC(C)C)cc1)[Si](C)(C)C
InChIInChI=1S/C17H28O2Si/c1-7-19-17(18)16(20(4,5)6)15-10-8-14(9-11-15)12-13(2)3/h8-11,13,16H,7,12H2,1-6H3
InChIKeyACNSXJBWCOJSFO-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
CID 23349504
ethyl (2S)-3-(4-bromophenyl)-2-methylpropanoate
CID 129395857
[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxymethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 118682684
ethyl 2-methyl-3-[3-(2-methylpropyl)phenyl]propanoate
CID 134600479
ethyl 2-methyl-3-pyridin-4-ylpropanoate
CID 22939399
octyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 15274994
2-[4-(2-methylpropyl)phenyl]propyl acetate
CID 12905360
ethyl (2R)-4-methyl-2-propan-2-ylpentanoate;2-methylpropylbenzene
CID 158350674
1-methoxy-1-[4-(2-methylpropyl)phenyl]pentan-2-one
CID 83225132
2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid
CID 83224518
1-[4-(2-methylpropyl)phenyl]-1-propoxypropan-2-one
CID 83226310
1-(1-ethoxyethenyl)-4-(2-methylpropyl)benzene
CID 146686998

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate?
The IUPAC name of ethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate (CID 135062979) is ethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate.
What is the SMILES notation for ethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate?
The canonical SMILES for ethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate is CCOC(=O)C(c1ccc(CC(C)C)cc1)[Si](C)(C)C.
What is the InChIKey of ethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate?
The InChIKey is ACNSXJBWCOJSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-7-19-17(18)16(20(4,5)6)15-10-8-14(9-11-15)12-13(2)3/h8-11,13,16H,7,12H2,1-6H3.
What are the key properties of ethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate?
ethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate has a molecular weight of 292.50 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-methylpropyl)phenyl]-2-trimethylsilylacetate is sourced from PubChem (CID 135062979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).