CID 22891726

C4H17F3O15Si14 — CID 22891726

IUPAC—
SMILESC[Si](O)(CCC(F)(F)F)O[Si](O[Si](O[Si]O)([Si]O)[Si]O)([Si](O[Si]O)([Si]O)[Si]O)[Si](O[Si]O)([Si]O)[Si]O
InChIInChI=1S/C4H17F3O15Si14/c1-32(17,3-2-4(5,6)7)21-34(35(28-13,29-14)19-24-9,36(30-15,31-16)20-25-10)22-33(26-11,27-12)18-23-8/h8-17H,2-3H2,1H3
InChIKeyCURAKXFIUCBFTK-UHFFFAOYSA-N
MW755.36 g/mol
LogP-8.75
Rot. Bonds20

About CID 22891726

CID 22891726 (PubChem CID 22891726) has the molecular formula C4H17F3O15Si14 and a molecular weight of 755.36 g/mol.

Molecular Properties

Compound NameCID 22891726
PubChem CID22891726
Molecular FormulaC4H17F3O15Si14
Molecular Weight755.36 g/mol
Exact Mass753.73
IUPAC Name—
SMILESC[Si](O)(CCC(F)(F)F)O[Si](O[Si](O[Si]O)([Si]O)[Si]O)([Si](O[Si]O)([Si]O)[Si]O)[Si](O[Si]O)([Si]O)[Si]O
InChIInChI=1S/C4H17F3O15Si14/c1-32(17,3-2-4(5,6)7)21-34(35(28-13,29-14)19-24-9,36(30-15,31-16)20-25-10)22-33(26-11,27-12)18-23-8/h8-17H,2-3H2,1H3
InChIKeyCURAKXFIUCBFTK-UHFFFAOYSA-N
XLogP-8.75
TPSA248.45 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500755.36
LogP ≤ 5-8.75
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 22891726?
The IUPAC name of CID 22891726 (CID 22891726) is not available.
What is the SMILES notation for CID 22891726?
The canonical SMILES for CID 22891726 is C[Si](O)(CCC(F)(F)F)O[Si](O[Si](O[Si]O)([Si]O)[Si]O)([Si](O[Si]O)([Si]O)[Si]O)[Si](O[Si]O)([Si]O)[Si]O.
What is the InChIKey of CID 22891726?
The InChIKey is CURAKXFIUCBFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H17F3O15Si14/c1-32(17,3-2-4(5,6)7)21-34(35(28-13,29-14)19-24-9,36(30-15,31-16)20-25-10)22-33(26-11,27-12)18-23-8/h8-17H,2-3H2,1H3.
What are the key properties of CID 22891726?
CID 22891726 has a molecular weight of 755.36 g/mol, XLogP of -8.75, 20 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22891726 is sourced from PubChem (CID 22891726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).