CID 90170569

C13H18FO3Si — CID 90170569

IUPAC—
SMILESCC(C)OC(O[Si])(OC(C)C)c1cccc(F)c1
InChIInChI=1S/C13H18FO3Si/c1-9(2)15-13(17-18,16-10(3)4)11-6-5-7-12(14)8-11/h5-10H,1-4H3
InChIKeyZVLUSNGOAHNMIQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.89
Rot. Bonds6

About CID 90170569

CID 90170569 (PubChem CID 90170569) has the molecular formula C13H18FO3Si and a molecular weight of 269.37 g/mol.

Molecular Properties

Compound NameCID 90170569
PubChem CID90170569
Molecular FormulaC13H18FO3Si
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name—
SMILESCC(C)OC(O[Si])(OC(C)C)c1cccc(F)c1
InChIInChI=1S/C13H18FO3Si/c1-9(2)15-13(17-18,16-10(3)4)11-6-5-7-12(14)8-11/h5-10H,1-4H3
InChIKeyZVLUSNGOAHNMIQ-UHFFFAOYSA-N
XLogP2.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.89
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 90170569?
The IUPAC name of CID 90170569 (CID 90170569) is not available.
What is the SMILES notation for CID 90170569?
The canonical SMILES for CID 90170569 is CC(C)OC(O[Si])(OC(C)C)c1cccc(F)c1.
What is the InChIKey of CID 90170569?
The InChIKey is ZVLUSNGOAHNMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FO3Si/c1-9(2)15-13(17-18,16-10(3)4)11-6-5-7-12(14)8-11/h5-10H,1-4H3.
What are the key properties of CID 90170569?
CID 90170569 has a molecular weight of 269.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90170569 is sourced from PubChem (CID 90170569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).