CID 175311289

C10H20F3O3SSi — CID 175311289

IUPAC—
SMILESC=CCOS(=O)(=O)C(F)(F)F.CCCC[Si](C)C
InChIInChI=1S/C6H15Si.C4H5F3O3S/c1-4-5-6-7(2)3;1-2-3-10-11(8,9)4(5,6)7/h4-6H2,1-3H3;2H,1,3H2
InChIKeyOUQJYRGUCVVWLN-UHFFFAOYSA-N
MW305.41 g/mol
LogP3.58
Rot. Bonds6

About CID 175311289

CID 175311289 (PubChem CID 175311289) has the molecular formula C10H20F3O3SSi and a molecular weight of 305.41 g/mol.

Molecular Properties

Compound NameCID 175311289
PubChem CID175311289
Molecular FormulaC10H20F3O3SSi
Molecular Weight305.41 g/mol
Exact Mass305.09
IUPAC Name—
SMILESC=CCOS(=O)(=O)C(F)(F)F.CCCC[Si](C)C
InChIInChI=1S/C6H15Si.C4H5F3O3S/c1-4-5-6-7(2)3;1-2-3-10-11(8,9)4(5,6)7/h4-6H2,1-3H3;2H,1,3H2
InChIKeyOUQJYRGUCVVWLN-UHFFFAOYSA-N
XLogP3.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175311289?
The IUPAC name of CID 175311289 (CID 175311289) is not available.
What is the SMILES notation for CID 175311289?
The canonical SMILES for CID 175311289 is C=CCOS(=O)(=O)C(F)(F)F.CCCC[Si](C)C.
What is the InChIKey of CID 175311289?
The InChIKey is OUQJYRGUCVVWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15Si.C4H5F3O3S/c1-4-5-6-7(2)3;1-2-3-10-11(8,9)4(5,6)7/h4-6H2,1-3H3;2H,1,3H2.
What are the key properties of CID 175311289?
CID 175311289 has a molecular weight of 305.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175311289 is sourced from PubChem (CID 175311289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).