CID 174652422

C12H15O4Si — CID 174652422

IUPAC—
SMILESC=CC(=O)Oc1cccc([Si](OC)OC)c1C
InChIInChI=1S/C12H15O4Si/c1-5-12(13)16-10-7-6-8-11(9(10)2)17(14-3)15-4/h5-8H,1H2,2-4H3
InChIKeyIBYUPIKYYDLFJT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.07
Rot. Bonds5

About CID 174652422

CID 174652422 (PubChem CID 174652422) has the molecular formula C12H15O4Si and a molecular weight of 251.33 g/mol.

Molecular Properties

Compound NameCID 174652422
PubChem CID174652422
Molecular FormulaC12H15O4Si
Molecular Weight251.33 g/mol
Exact Mass251.07
IUPAC Name—
SMILESC=CC(=O)Oc1cccc([Si](OC)OC)c1C
InChIInChI=1S/C12H15O4Si/c1-5-12(13)16-10-7-6-8-11(9(10)2)17(14-3)15-4/h5-8H,1H2,2-4H3
InChIKeyIBYUPIKYYDLFJT-UHFFFAOYSA-N
XLogP1.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.07
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

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naphthalen-1-yl prop-2-enoate
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CID 89405419
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ethene;(3-methylphenyl) prop-2-enoate
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2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160674288
[2-(methylaminomethyl)phenyl] prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of CID 174652422?
The IUPAC name of CID 174652422 (CID 174652422) is not available.
What is the SMILES notation for CID 174652422?
The canonical SMILES for CID 174652422 is C=CC(=O)Oc1cccc([Si](OC)OC)c1C.
What is the InChIKey of CID 174652422?
The InChIKey is IBYUPIKYYDLFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O4Si/c1-5-12(13)16-10-7-6-8-11(9(10)2)17(14-3)15-4/h5-8H,1H2,2-4H3.
What are the key properties of CID 174652422?
CID 174652422 has a molecular weight of 251.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174652422 is sourced from PubChem (CID 174652422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).