CID 11759588

C6H18O3Tl — CID 11759588

IUPAC—
SMILESCCO.CCO.CCO.[Tl]
InChIInChI=1S/3C2H6O.Tl/c3*1-2-3;/h3*3H,2H2,1H3;
InChIKeyPDARUQLSCVODSO-UHFFFAOYSA-N
MW342.59 g/mol
LogP-0.38
Rot. Bonds

About CID 11759588

CID 11759588 (PubChem CID 11759588) has the molecular formula C6H18O3Tl and a molecular weight of 342.59 g/mol.

Molecular Properties

Compound NameCID 11759588
PubChem CID11759588
Molecular FormulaC6H18O3Tl
Molecular Weight342.59 g/mol
Exact Mass343.10
IUPAC Name—
SMILESCCO.CCO.CCO.[Tl]
InChIInChI=1S/3C2H6O.Tl/c3*1-2-3;/h3*3H,2H2,1H3;
InChIKeyPDARUQLSCVODSO-UHFFFAOYSA-N
XLogP-0.38
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.59
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 11759588?
The IUPAC name of CID 11759588 (CID 11759588) is not available.
What is the SMILES notation for CID 11759588?
The canonical SMILES for CID 11759588 is CCO.CCO.CCO.[Tl].
What is the InChIKey of CID 11759588?
The InChIKey is PDARUQLSCVODSO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H6O.Tl/c3*1-2-3;/h3*3H,2H2,1H3;.
What are the key properties of CID 11759588?
CID 11759588 has a molecular weight of 342.59 g/mol, XLogP of -0.38, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11759588 is sourced from PubChem (CID 11759588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).