CID 90175268

C14H20F2O3Si — CID 90175268

IUPAC—
SMILESCCOC(OCC)O[Si]CCCc1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2O3Si/c1-3-17-14(18-4-2)19-20-9-5-6-11-7-8-12(15)13(16)10-11/h7-8,10,14H,3-6,9H2,1-2H3
InChIKeyPZTLMKGQYSIRDX-UHFFFAOYSA-N
MW302.39 g/mol
LogP3.31
Rot. Bonds10

About CID 90175268

CID 90175268 (PubChem CID 90175268) has the molecular formula C14H20F2O3Si and a molecular weight of 302.39 g/mol.

Molecular Properties

Compound NameCID 90175268
PubChem CID90175268
Molecular FormulaC14H20F2O3Si
Molecular Weight302.39 g/mol
Exact Mass302.11
IUPAC Name—
SMILESCCOC(OCC)O[Si]CCCc1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2O3Si/c1-3-17-14(18-4-2)19-20-9-5-6-11-7-8-12(15)13(16)10-11/h7-8,10,14H,3-6,9H2,1-2H3
InChIKeyPZTLMKGQYSIRDX-UHFFFAOYSA-N
XLogP3.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 90175268?
The IUPAC name of CID 90175268 (CID 90175268) is not available.
What is the SMILES notation for CID 90175268?
The canonical SMILES for CID 90175268 is CCOC(OCC)O[Si]CCCc1ccc(F)c(F)c1.
What is the InChIKey of CID 90175268?
The InChIKey is PZTLMKGQYSIRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O3Si/c1-3-17-14(18-4-2)19-20-9-5-6-11-7-8-12(15)13(16)10-11/h7-8,10,14H,3-6,9H2,1-2H3.
What are the key properties of CID 90175268?
CID 90175268 has a molecular weight of 302.39 g/mol, XLogP of 3.31, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90175268 is sourced from PubChem (CID 90175268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).