[tert-butyl(dimethyl)silyl] 3-phenylpropanoate

C15H24O2Si — CID 554838

IUPAC[tert-butyl(dimethyl)silyl] 3-phenylpropanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCc1ccccc1
InChIInChI=1S/C15H24O2Si/c1-15(2,3)18(4,5)17-14(16)12-11-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3
InChIKeyDMEANXAVVZKYTA-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.17
Rot. Bonds4

About [tert-butyl(dimethyl)silyl] 3-phenylpropanoate

[tert-butyl(dimethyl)silyl] 3-phenylpropanoate (PubChem CID 554838) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3-phenylpropanoate
PubChem CID554838
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Name[tert-butyl(dimethyl)silyl] 3-phenylpropanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CCc1ccccc1
InChIInChI=1S/C15H24O2Si/c1-15(2,3)18(4,5)17-14(16)12-11-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3
InChIKeyDMEANXAVVZKYTA-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3-phenylpropanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3-phenylpropanoate (CID 554838) is [tert-butyl(dimethyl)silyl] 3-phenylpropanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3-phenylpropanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3-phenylpropanoate is CC(C)(C)[Si](C)(C)OC(=O)CCc1ccccc1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3-phenylpropanoate?
The InChIKey is DMEANXAVVZKYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2Si/c1-15(2,3)18(4,5)17-14(16)12-11-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3-phenylpropanoate?
[tert-butyl(dimethyl)silyl] 3-phenylpropanoate has a molecular weight of 264.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3-phenylpropanoate is sourced from PubChem (CID 554838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).