CID 50937319

C18H20O2Sn-4 — CID 50937319

IUPAC—
SMILESO=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[CH3-].[CH3-].[CH3-].[Sn]
InChIInChI=1S/C15H12O2.3CH3.Sn/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;;;/h1-11,16H;3*1H3;/q;3*-1;/p-1/b14-11-;;;;
InChIKeyKQDSWMPTVAVYHK-VDOWVRHSSA-M
MW387.07 g/mol
LogP3.24
Rot. Bonds3

About CID 50937319

CID 50937319 (PubChem CID 50937319) has the molecular formula C18H20O2Sn-4 and a molecular weight of 387.07 g/mol.

Molecular Properties

Compound NameCID 50937319
PubChem CID50937319
Molecular FormulaC18H20O2Sn-4
Molecular Weight387.07 g/mol
Exact Mass388.05
IUPAC Name—
SMILESO=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[CH3-].[CH3-].[CH3-].[Sn]
InChIInChI=1S/C15H12O2.3CH3.Sn/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;;;/h1-11,16H;3*1H3;/q;3*-1;/p-1/b14-11-;;;;
InChIKeyKQDSWMPTVAVYHK-VDOWVRHSSA-M
XLogP3.24
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.07
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 139155657
CID 139155657
cobalt(2+);(Z)-3-oxo-1,3-diphenylprop-1-en-1-olate;tris(3,5-diphenylpyrazol-1-yl)boranuide
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Frequently Asked Questions

What is the IUPAC name of CID 50937319?
The IUPAC name of CID 50937319 (CID 50937319) is not available.
What is the SMILES notation for CID 50937319?
The canonical SMILES for CID 50937319 is O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[CH3-].[CH3-].[CH3-].[Sn].
What is the InChIKey of CID 50937319?
The InChIKey is KQDSWMPTVAVYHK-VDOWVRHSSA-M. The full InChI is InChI=1S/C15H12O2.3CH3.Sn/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;;;/h1-11,16H;3*1H3;/q;3*-1;/p-1/b14-11-;;;;.
What are the key properties of CID 50937319?
CID 50937319 has a molecular weight of 387.07 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 50937319 is sourced from PubChem (CID 50937319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).