CID 173413432

C6H11O2Sn — CID 173413432

IUPAC—
SMILESC=C(C)C(=O)O.CC[Sn]
InChIInChI=1S/C4H6O2.C2H5.Sn/c1-3(2)4(5)6;1-2;/h1H2,2H3,(H,5,6);1H2,2H3;
InChIKeyGXMXUQPWRGFYIB-UHFFFAOYSA-N
MW233.86 g/mol
LogP1.24
Rot. Bonds1

About CID 173413432

CID 173413432 (PubChem CID 173413432) has the molecular formula C6H11O2Sn and a molecular weight of 233.86 g/mol.

Molecular Properties

Compound NameCID 173413432
PubChem CID173413432
Molecular FormulaC6H11O2Sn
Molecular Weight233.86 g/mol
Exact Mass234.98
IUPAC Name—
SMILESC=C(C)C(=O)O.CC[Sn]
InChIInChI=1S/C4H6O2.C2H5.Sn/c1-3(2)4(5)6;1-2;/h1H2,2H3,(H,5,6);1H2,2H3;
InChIKeyGXMXUQPWRGFYIB-UHFFFAOYSA-N
XLogP1.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.86
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173413432?
The IUPAC name of CID 173413432 (CID 173413432) is not available.
What is the SMILES notation for CID 173413432?
The canonical SMILES for CID 173413432 is C=C(C)C(=O)O.CC[Sn].
What is the InChIKey of CID 173413432?
The InChIKey is GXMXUQPWRGFYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2H5.Sn/c1-3(2)4(5)6;1-2;/h1H2,2H3,(H,5,6);1H2,2H3;.
What are the key properties of CID 173413432?
CID 173413432 has a molecular weight of 233.86 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173413432 is sourced from PubChem (CID 173413432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).