CID 90170606

C14H18F4O3Si — CID 90170606

IUPAC—
SMILESCC(C)OC(O[Si]Cc1cc(F)c(F)c(F)c1F)OC(C)C
InChIInChI=1S/C14H18F4O3Si/c1-7(2)19-14(20-8(3)4)21-22-6-9-5-10(15)12(17)13(18)11(9)16/h5,7-8,14H,6H2,1-4H3
InChIKeyTUBXPVGRSRRSTE-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.51
Rot. Bonds8

About CID 90170606

CID 90170606 (PubChem CID 90170606) has the molecular formula C14H18F4O3Si and a molecular weight of 338.37 g/mol.

Molecular Properties

Compound NameCID 90170606
PubChem CID90170606
Molecular FormulaC14H18F4O3Si
Molecular Weight338.37 g/mol
Exact Mass338.10
IUPAC Name—
SMILESCC(C)OC(O[Si]Cc1cc(F)c(F)c(F)c1F)OC(C)C
InChIInChI=1S/C14H18F4O3Si/c1-7(2)19-14(20-8(3)4)21-22-6-9-5-10(15)12(17)13(18)11(9)16/h5,7-8,14H,6H2,1-4H3
InChIKeyTUBXPVGRSRRSTE-UHFFFAOYSA-N
XLogP3.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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 90170606?
The IUPAC name of CID 90170606 (CID 90170606) is not available.
What is the SMILES notation for CID 90170606?
The canonical SMILES for CID 90170606 is CC(C)OC(O[Si]Cc1cc(F)c(F)c(F)c1F)OC(C)C.
What is the InChIKey of CID 90170606?
The InChIKey is TUBXPVGRSRRSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4O3Si/c1-7(2)19-14(20-8(3)4)21-22-6-9-5-10(15)12(17)13(18)11(9)16/h5,7-8,14H,6H2,1-4H3.
What are the key properties of CID 90170606?
CID 90170606 has a molecular weight of 338.37 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90170606 is sourced from PubChem (CID 90170606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).