CID 90170902

C13H18FO3Si — CID 90170902

IUPAC—
SMILESCCOC(CCc1cccc(F)c1)(O[Si])OCC
InChIInChI=1S/C13H18FO3Si/c1-3-15-13(17-18,16-4-2)9-8-11-6-5-7-12(14)10-11/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyZMUNIJUBZWHVJZ-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.59
Rot. Bonds8

About CID 90170902

CID 90170902 (PubChem CID 90170902) has the molecular formula C13H18FO3Si and a molecular weight of 269.37 g/mol.

Molecular Properties

Compound NameCID 90170902
PubChem CID90170902
Molecular FormulaC13H18FO3Si
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name—
SMILESCCOC(CCc1cccc(F)c1)(O[Si])OCC
InChIInChI=1S/C13H18FO3Si/c1-3-15-13(17-18,16-4-2)9-8-11-6-5-7-12(14)10-11/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyZMUNIJUBZWHVJZ-UHFFFAOYSA-N
XLogP2.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.59
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 90170902?
The IUPAC name of CID 90170902 (CID 90170902) is not available.
What is the SMILES notation for CID 90170902?
The canonical SMILES for CID 90170902 is CCOC(CCc1cccc(F)c1)(O[Si])OCC.
What is the InChIKey of CID 90170902?
The InChIKey is ZMUNIJUBZWHVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FO3Si/c1-3-15-13(17-18,16-4-2)9-8-11-6-5-7-12(14)10-11/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of CID 90170902?
CID 90170902 has a molecular weight of 269.37 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90170902 is sourced from PubChem (CID 90170902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).