(2-oxo-2-tributylsilyloxyethyl) 2-methylprop-2-enoate

C18H34O4Si — CID 87707237

IUPAC(2-oxo-2-tributylsilyloxyethyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C18H34O4Si/c1-6-9-12-23(13-10-7-2,14-11-8-3)22-17(19)15-21-18(20)16(4)5/h4,6-15H2,1-3,5H3
InChIKeyPEZMQLQZHJGLKT-UHFFFAOYSA-N
MW342.55 g/mol
LogP4.99
Rot. Bonds13

About (2-oxo-2-tributylsilyloxyethyl) 2-methylprop-2-enoate

(2-oxo-2-tributylsilyloxyethyl) 2-methylprop-2-enoate (PubChem CID 87707237) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is (2-oxo-2-tributylsilyloxyethyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-oxo-2-tributylsilyloxyethyl) 2-methylprop-2-enoate
PubChem CID87707237
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name(2-oxo-2-tributylsilyloxyethyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)O[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C18H34O4Si/c1-6-9-12-23(13-10-7-2,14-11-8-3)22-17(19)15-21-18(20)16(4)5/h4,6-15H2,1-3,5H3
InChIKeyPEZMQLQZHJGLKT-UHFFFAOYSA-N
XLogP4.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.99
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-tributylsilyloxyethyl) 2-methylprop-2-enoate?
The IUPAC name of (2-oxo-2-tributylsilyloxyethyl) 2-methylprop-2-enoate (CID 87707237) is (2-oxo-2-tributylsilyloxyethyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-oxo-2-tributylsilyloxyethyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-oxo-2-tributylsilyloxyethyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)O[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of (2-oxo-2-tributylsilyloxyethyl) 2-methylprop-2-enoate?
The InChIKey is PEZMQLQZHJGLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-6-9-12-23(13-10-7-2,14-11-8-3)22-17(19)15-21-18(20)16(4)5/h4,6-15H2,1-3,5H3.
What are the key properties of (2-oxo-2-tributylsilyloxyethyl) 2-methylprop-2-enoate?
(2-oxo-2-tributylsilyloxyethyl) 2-methylprop-2-enoate has a molecular weight of 342.55 g/mol, XLogP of 4.99, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-tributylsilyloxyethyl) 2-methylprop-2-enoate is sourced from PubChem (CID 87707237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).