CID 90174869

C16H23F3O3Si — CID 90174869

IUPAC—
SMILESCC(C)OC(O[Si]CCCc1cc(F)c(F)cc1F)OC(C)C
InChIInChI=1S/C16H23F3O3Si/c1-10(2)20-16(21-11(3)4)22-23-7-5-6-12-8-14(18)15(19)9-13(12)17/h8-11,16H,5-7H2,1-4H3
InChIKeyXOLKSAXBGDYPIL-UHFFFAOYSA-N
MW348.44 g/mol
LogP4.22
Rot. Bonds10

About CID 90174869

CID 90174869 (PubChem CID 90174869) has the molecular formula C16H23F3O3Si and a molecular weight of 348.44 g/mol.

Molecular Properties

Compound NameCID 90174869
PubChem CID90174869
Molecular FormulaC16H23F3O3Si
Molecular Weight348.44 g/mol
Exact Mass348.14
IUPAC Name—
SMILESCC(C)OC(O[Si]CCCc1cc(F)c(F)cc1F)OC(C)C
InChIInChI=1S/C16H23F3O3Si/c1-10(2)20-16(21-11(3)4)22-23-7-5-6-12-8-14(18)15(19)9-13(12)17/h8-11,16H,5-7H2,1-4H3
InChIKeyXOLKSAXBGDYPIL-UHFFFAOYSA-N
XLogP4.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', '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 90174869?
The IUPAC name of CID 90174869 (CID 90174869) is not available.
What is the SMILES notation for CID 90174869?
The canonical SMILES for CID 90174869 is CC(C)OC(O[Si]CCCc1cc(F)c(F)cc1F)OC(C)C.
What is the InChIKey of CID 90174869?
The InChIKey is XOLKSAXBGDYPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3O3Si/c1-10(2)20-16(21-11(3)4)22-23-7-5-6-12-8-14(18)15(19)9-13(12)17/h8-11,16H,5-7H2,1-4H3.
What are the key properties of CID 90174869?
CID 90174869 has a molecular weight of 348.44 g/mol, XLogP of 4.22, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90174869 is sourced from PubChem (CID 90174869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).