CID 11417796

C13H27CuLiNSn — CID 11417796

IUPAC—
SMILESCCCC[Sn](CCCC)CCCC.[C-]#N.[Cu].[Li+]
InChIInChI=1S/3C4H9.CN.Cu.Li.Sn/c3*1-3-4-2;1-2;;;/h3*1,3-4H2,2H3;;;;/q;;;-1;;+1;
InChIKeyBVSOMHNBOCNTQN-UHFFFAOYSA-N
MW386.56 g/mol
LogP1.98
Rot. Bonds9

About CID 11417796

CID 11417796 (PubChem CID 11417796) has the molecular formula C13H27CuLiNSn and a molecular weight of 386.56 g/mol.

Molecular Properties

Compound NameCID 11417796
PubChem CID11417796
Molecular FormulaC13H27CuLiNSn
Molecular Weight386.56 g/mol
Exact Mass387.06
IUPAC Name—
SMILESCCCC[Sn](CCCC)CCCC.[C-]#N.[Cu].[Li+]
InChIInChI=1S/3C4H9.CN.Cu.Li.Sn/c3*1-3-4-2;1-2;;;/h3*1,3-4H2,2H3;;;;/q;;;-1;;+1;
InChIKeyBVSOMHNBOCNTQN-UHFFFAOYSA-N
XLogP1.98
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11417796?
The IUPAC name of CID 11417796 (CID 11417796) is not available.
What is the SMILES notation for CID 11417796?
The canonical SMILES for CID 11417796 is CCCC[Sn](CCCC)CCCC.[C-]#N.[Cu].[Li+].
What is the InChIKey of CID 11417796?
The InChIKey is BVSOMHNBOCNTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.CN.Cu.Li.Sn/c3*1-3-4-2;1-2;;;/h3*1,3-4H2,2H3;;;;/q;;;-1;;+1;.
What are the key properties of CID 11417796?
CID 11417796 has a molecular weight of 386.56 g/mol, XLogP of 1.98, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11417796 is sourced from PubChem (CID 11417796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).