CID 21057494

C15H19O4Si — CID 21057494

IUPAC—
SMILESCOC(=O)/C=C/C(=O)O[Si](c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H19O4Si/c1-15(2,3)20(12-8-6-5-7-9-12)19-14(17)11-10-13(16)18-4/h5-11H,1-4H3/b11-10+
InChIKeyUAAXPJWMLGAZMG-ZHACJKMWSA-N
MW291.40 g/mol
LogP1.96
Rot. Bonds4

About CID 21057494

CID 21057494 (PubChem CID 21057494) has the molecular formula C15H19O4Si and a molecular weight of 291.40 g/mol.

Molecular Properties

Compound NameCID 21057494
PubChem CID21057494
Molecular FormulaC15H19O4Si
Molecular Weight291.40 g/mol
Exact Mass291.11
IUPAC Name—
SMILESCOC(=O)/C=C/C(=O)O[Si](c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H19O4Si/c1-15(2,3)20(12-8-6-5-7-9-12)19-14(17)11-10-13(16)18-4/h5-11H,1-4H3/b11-10+
InChIKeyUAAXPJWMLGAZMG-ZHACJKMWSA-N
XLogP1.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.96
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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Related Compounds

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methyl (E)-3-diphenylphosphanylprop-2-enoate
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methyl (Z,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-5-phenylpent-2-enoate
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Frequently Asked Questions

What is the IUPAC name of CID 21057494?
The IUPAC name of CID 21057494 (CID 21057494) is not available.
What is the SMILES notation for CID 21057494?
The canonical SMILES for CID 21057494 is COC(=O)/C=C/C(=O)O[Si](c1ccccc1)C(C)(C)C.
What is the InChIKey of CID 21057494?
The InChIKey is UAAXPJWMLGAZMG-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H19O4Si/c1-15(2,3)20(12-8-6-5-7-9-12)19-14(17)11-10-13(16)18-4/h5-11H,1-4H3/b11-10+.
What are the key properties of CID 21057494?
CID 21057494 has a molecular weight of 291.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21057494 is sourced from PubChem (CID 21057494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).