CID 67159219

C13H17O3Si — CID 67159219

IUPAC—
SMILESC=C(C)C(=O)OCc1ccccc1O[Si](C)C
InChIInChI=1S/C13H17O3Si/c1-10(2)13(14)15-9-11-7-5-6-8-12(11)16-17(3)4/h5-8H,1,9H2,2-4H3
InChIKeyPBHZNGJHWIOJBG-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.94
Rot. Bonds5

About CID 67159219

CID 67159219 (PubChem CID 67159219) has the molecular formula C13H17O3Si and a molecular weight of 249.36 g/mol.

Molecular Properties

Compound NameCID 67159219
PubChem CID67159219
Molecular FormulaC13H17O3Si
Molecular Weight249.36 g/mol
Exact Mass249.09
IUPAC Name—
SMILESC=C(C)C(=O)OCc1ccccc1O[Si](C)C
InChIInChI=1S/C13H17O3Si/c1-10(2)13(14)15-9-11-7-5-6-8-12(11)16-17(3)4/h5-8H,1,9H2,2-4H3
InChIKeyPBHZNGJHWIOJBG-UHFFFAOYSA-N
XLogP2.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 67159219 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate
CID 118333825
(2-ethylphenyl)methyl 2-methylprop-2-enoate
CID 22748890
[2-(hydroxymethyl)phenyl]methyl 2-methylprop-2-enoate
CID 66870935
[2-(oxetan-2-yl)phenyl]methyl 2-methylprop-2-enoate
CID 140573323
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
CID 18719557
CID 18719557
benzyl 2-methylprop-2-enoate;butane
CID 174907722
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
(2-acetyloxyphenyl)methyl acetate
CID 10889107
CID 15477926
CID 15477926
(2-propylphenyl) 2-methylprop-2-enoate
CID 22709190

Frequently Asked Questions

What is the IUPAC name of CID 67159219?
The IUPAC name of CID 67159219 (CID 67159219) is not available.
What is the SMILES notation for CID 67159219?
The canonical SMILES for CID 67159219 is C=C(C)C(=O)OCc1ccccc1O[Si](C)C.
What is the InChIKey of CID 67159219?
The InChIKey is PBHZNGJHWIOJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O3Si/c1-10(2)13(14)15-9-11-7-5-6-8-12(11)16-17(3)4/h5-8H,1,9H2,2-4H3.
What are the key properties of CID 67159219?
CID 67159219 has a molecular weight of 249.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67159219 is sourced from PubChem (CID 67159219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).