CID 90175112

C19H22FO3Si — CID 90175112

IUPAC—
SMILESCC(C)OC(O[Si])(OC(C)C)c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C19H22FO3Si/c1-13(2)21-19(23-24,22-14(3)4)17-10-8-15(9-11-17)16-6-5-7-18(20)12-16/h5-14H,1-4H3
InChIKeyAACCZLVYLYQAEO-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.55
Rot. Bonds7

About CID 90175112

CID 90175112 (PubChem CID 90175112) has the molecular formula C19H22FO3Si and a molecular weight of 345.47 g/mol.

Molecular Properties

Compound NameCID 90175112
PubChem CID90175112
Molecular FormulaC19H22FO3Si
Molecular Weight345.47 g/mol
Exact Mass345.13
IUPAC Name—
SMILESCC(C)OC(O[Si])(OC(C)C)c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C19H22FO3Si/c1-13(2)21-19(23-24,22-14(3)4)17-10-8-15(9-11-17)16-6-5-7-18(20)12-16/h5-14H,1-4H3
InChIKeyAACCZLVYLYQAEO-UHFFFAOYSA-N
XLogP4.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze CID 90175112 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 90175112?
The IUPAC name of CID 90175112 (CID 90175112) is not available.
What is the SMILES notation for CID 90175112?
The canonical SMILES for CID 90175112 is CC(C)OC(O[Si])(OC(C)C)c1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of CID 90175112?
The InChIKey is AACCZLVYLYQAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FO3Si/c1-13(2)21-19(23-24,22-14(3)4)17-10-8-15(9-11-17)16-6-5-7-18(20)12-16/h5-14H,1-4H3.
What are the key properties of CID 90175112?
CID 90175112 has a molecular weight of 345.47 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90175112 is sourced from PubChem (CID 90175112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).