CID 173346876

C5H9Cl2O2Sn — CID 173346876

IUPAC—
SMILESC=CC[Sn](Cl)Cl.CC(=O)O
InChIInChI=1S/C3H5.C2H4O2.2ClH.Sn/c1-3-2;1-2(3)4;;;/h3H,1-2H2;1H3,(H,3,4);2*1H;/q;;;;+2/p-2
InChIKeyHGFKSUKAHBVELA-UHFFFAOYSA-L
MW290.74 g/mol
LogP2.23
Rot. Bonds2

About CID 173346876

CID 173346876 (PubChem CID 173346876) has the molecular formula C5H9Cl2O2Sn and a molecular weight of 290.74 g/mol.

Molecular Properties

Compound NameCID 173346876
PubChem CID173346876
Molecular FormulaC5H9Cl2O2Sn
Molecular Weight290.74 g/mol
Exact Mass290.90
IUPAC Name—
SMILESC=CC[Sn](Cl)Cl.CC(=O)O
InChIInChI=1S/C3H5.C2H4O2.2ClH.Sn/c1-3-2;1-2(3)4;;;/h3H,1-2H2;1H3,(H,3,4);2*1H;/q;;;;+2/p-2
InChIKeyHGFKSUKAHBVELA-UHFFFAOYSA-L
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173346876?
The IUPAC name of CID 173346876 (CID 173346876) is not available.
What is the SMILES notation for CID 173346876?
The canonical SMILES for CID 173346876 is C=CC[Sn](Cl)Cl.CC(=O)O.
What is the InChIKey of CID 173346876?
The InChIKey is HGFKSUKAHBVELA-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H5.C2H4O2.2ClH.Sn/c1-3-2;1-2(3)4;;;/h3H,1-2H2;1H3,(H,3,4);2*1H;/q;;;;+2/p-2.
What are the key properties of CID 173346876?
CID 173346876 has a molecular weight of 290.74 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173346876 is sourced from PubChem (CID 173346876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).