CID 90170295

C12H17FO3Si — CID 90170295

IUPAC—
SMILESCCOC(OCC)O[Si]Cc1cccc(F)c1
InChIInChI=1S/C12H17FO3Si/c1-3-14-12(15-4-2)16-17-9-10-6-5-7-11(13)8-10/h5-8,12H,3-4,9H2,1-2H3
InChIKeyNVAAEEKJUPITNE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.32
Rot. Bonds8

About CID 90170295

CID 90170295 (PubChem CID 90170295) has the molecular formula C12H17FO3Si and a molecular weight of 256.35 g/mol.

Molecular Properties

Compound NameCID 90170295
PubChem CID90170295
Molecular FormulaC12H17FO3Si
Molecular Weight256.35 g/mol
Exact Mass256.09
IUPAC Name—
SMILESCCOC(OCC)O[Si]Cc1cccc(F)c1
InChIInChI=1S/C12H17FO3Si/c1-3-14-12(15-4-2)16-17-9-10-6-5-7-11(13)8-10/h5-8,12H,3-4,9H2,1-2H3
InChIKeyNVAAEEKJUPITNE-UHFFFAOYSA-N
XLogP2.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.32
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 90170295?
The IUPAC name of CID 90170295 (CID 90170295) is not available.
What is the SMILES notation for CID 90170295?
The canonical SMILES for CID 90170295 is CCOC(OCC)O[Si]Cc1cccc(F)c1.
What is the InChIKey of CID 90170295?
The InChIKey is NVAAEEKJUPITNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3Si/c1-3-14-12(15-4-2)16-17-9-10-6-5-7-11(13)8-10/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of CID 90170295?
CID 90170295 has a molecular weight of 256.35 g/mol, XLogP of 2.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90170295 is sourced from PubChem (CID 90170295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).