CID 90171036

C13H18F2O3Si — CID 90171036

IUPAC—
SMILESCC(C)OC(O[Si]c1ccc(F)c(F)c1)OC(C)C
InChIInChI=1S/C13H18F2O3Si/c1-8(2)16-13(17-9(3)4)18-19-10-5-6-11(14)12(15)7-10/h5-9,13H,1-4H3
InChIKeyXOSVWIZDLPMBIY-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.36
Rot. Bonds7

About CID 90171036

CID 90171036 (PubChem CID 90171036) has the molecular formula C13H18F2O3Si and a molecular weight of 288.37 g/mol.

Molecular Properties

Compound NameCID 90171036
PubChem CID90171036
Molecular FormulaC13H18F2O3Si
Molecular Weight288.37 g/mol
Exact Mass288.10
IUPAC Name—
SMILESCC(C)OC(O[Si]c1ccc(F)c(F)c1)OC(C)C
InChIInChI=1S/C13H18F2O3Si/c1-8(2)16-13(17-9(3)4)18-19-10-5-6-11(14)12(15)7-10/h5-9,13H,1-4H3
InChIKeyXOSVWIZDLPMBIY-UHFFFAOYSA-N
XLogP2.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.36
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 90171036?
The IUPAC name of CID 90171036 (CID 90171036) is not available.
What is the SMILES notation for CID 90171036?
The canonical SMILES for CID 90171036 is CC(C)OC(O[Si]c1ccc(F)c(F)c1)OC(C)C.
What is the InChIKey of CID 90171036?
The InChIKey is XOSVWIZDLPMBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O3Si/c1-8(2)16-13(17-9(3)4)18-19-10-5-6-11(14)12(15)7-10/h5-9,13H,1-4H3.
What are the key properties of CID 90171036?
CID 90171036 has a molecular weight of 288.37 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90171036 is sourced from PubChem (CID 90171036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).