[2-oxo-2-tri(propan-2-yl)silyloxyethyl] 2-methylprop-2-enoate

C15H28O4Si — CID 87706022

IUPAC[2-oxo-2-tri(propan-2-yl)silyloxyethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28O4Si/c1-10(2)15(17)18-9-14(16)19-20(11(3)4,12(5)6)13(7)8/h11-13H,1,9H2,2-8H3
InChIKeyOJJJXUJFXBZXAP-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.82
Rot. Bonds7

About [2-oxo-2-tri(propan-2-yl)silyloxyethyl] 2-methylprop-2-enoate

[2-oxo-2-tri(propan-2-yl)silyloxyethyl] 2-methylprop-2-enoate (PubChem CID 87706022) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is [2-oxo-2-tri(propan-2-yl)silyloxyethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-tri(propan-2-yl)silyloxyethyl] 2-methylprop-2-enoate
PubChem CID87706022
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name[2-oxo-2-tri(propan-2-yl)silyloxyethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H28O4Si/c1-10(2)15(17)18-9-14(16)19-20(11(3)4,12(5)6)13(7)8/h11-13H,1,9H2,2-8H3
InChIKeyOJJJXUJFXBZXAP-UHFFFAOYSA-N
XLogP3.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-tri(propan-2-yl)silyloxyethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-oxo-2-tri(propan-2-yl)silyloxyethyl] 2-methylprop-2-enoate (CID 87706022) is [2-oxo-2-tri(propan-2-yl)silyloxyethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-oxo-2-tri(propan-2-yl)silyloxyethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-oxo-2-tri(propan-2-yl)silyloxyethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [2-oxo-2-tri(propan-2-yl)silyloxyethyl] 2-methylprop-2-enoate?
The InChIKey is OJJJXUJFXBZXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-10(2)15(17)18-9-14(16)19-20(11(3)4,12(5)6)13(7)8/h11-13H,1,9H2,2-8H3.
What are the key properties of [2-oxo-2-tri(propan-2-yl)silyloxyethyl] 2-methylprop-2-enoate?
[2-oxo-2-tri(propan-2-yl)silyloxyethyl] 2-methylprop-2-enoate has a molecular weight of 300.47 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-tri(propan-2-yl)silyloxyethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 87706022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).