CID 69221503

C13H17O3Sn — CID 69221503

IUPAC—
SMILESCO[Sn](OC)OC.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.3CH3O.Sn/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-2;/h1-8H;3*1H3;/q;3*-1;+3
InChIKeyRUXFOAOMIHBNRM-UHFFFAOYSA-N
MW339.99 g/mol
LogP2.75
Rot. Bonds3

About CID 69221503

CID 69221503 (PubChem CID 69221503) has the molecular formula C13H17O3Sn and a molecular weight of 339.99 g/mol.

Molecular Properties

Compound NameCID 69221503
PubChem CID69221503
Molecular FormulaC13H17O3Sn
Molecular Weight339.99 g/mol
Exact Mass341.02
IUPAC Name—
SMILESCO[Sn](OC)OC.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.3CH3O.Sn/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-2;/h1-8H;3*1H3;/q;3*-1;+3
InChIKeyRUXFOAOMIHBNRM-UHFFFAOYSA-N
XLogP2.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.99
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 69221503?
The IUPAC name of CID 69221503 (CID 69221503) is not available.
What is the SMILES notation for CID 69221503?
The canonical SMILES for CID 69221503 is CO[Sn](OC)OC.c1ccc2ccccc2c1.
What is the InChIKey of CID 69221503?
The InChIKey is RUXFOAOMIHBNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.3CH3O.Sn/c1-2-6-10-8-4-3-7-9(10)5-1;3*1-2;/h1-8H;3*1H3;/q;3*-1;+3.
What are the key properties of CID 69221503?
CID 69221503 has a molecular weight of 339.99 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69221503 is sourced from PubChem (CID 69221503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).