CID 87188807

C6H15O2Sn — CID 87188807

IUPAC—
SMILESCCCC[Sn](OC)OC
InChIInChI=1S/C4H9.2CH3O.Sn/c1-3-4-2;2*1-2;/h1,3-4H2,2H3;2*1H3;/q;2*-1;+2
InChIKeyGXFYGTJYXGCBPC-UHFFFAOYSA-N
MW237.89 g/mol
LogP1.57
Rot. Bonds5

About CID 87188807

CID 87188807 (PubChem CID 87188807) has the molecular formula C6H15O2Sn and a molecular weight of 237.89 g/mol.

Molecular Properties

Compound NameCID 87188807
PubChem CID87188807
Molecular FormulaC6H15O2Sn
Molecular Weight237.89 g/mol
Exact Mass239.01
IUPAC Name—
SMILESCCCC[Sn](OC)OC
InChIInChI=1S/C4H9.2CH3O.Sn/c1-3-4-2;2*1-2;/h1,3-4H2,2H3;2*1H3;/q;2*-1;+2
InChIKeyGXFYGTJYXGCBPC-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.89
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 87188807?
The IUPAC name of CID 87188807 (CID 87188807) is not available.
What is the SMILES notation for CID 87188807?
The canonical SMILES for CID 87188807 is CCCC[Sn](OC)OC.
What is the InChIKey of CID 87188807?
The InChIKey is GXFYGTJYXGCBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.2CH3O.Sn/c1-3-4-2;2*1-2;/h1,3-4H2,2H3;2*1H3;/q;2*-1;+2.
What are the key properties of CID 87188807?
CID 87188807 has a molecular weight of 237.89 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87188807 is sourced from PubChem (CID 87188807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).