CID 161036779

C16H33LiSn — CID 161036779

IUPAC—
SMILESC=CC=C.CCCC[Sn](CCCC)CCCC.[Li]
InChIInChI=1S/3C4H9.C4H6.Li.Sn/c4*1-3-4-2;;/h3*1,3-4H2,2H3;3-4H,1-2H2;;
InChIKeyUAIVRBRTZHPYBH-UHFFFAOYSA-N
MW351.09 g/mol
LogP5.86
Rot. Bonds10

About CID 161036779

CID 161036779 (PubChem CID 161036779) has the molecular formula C16H33LiSn and a molecular weight of 351.09 g/mol.

Molecular Properties

Compound NameCID 161036779
PubChem CID161036779
Molecular FormulaC16H33LiSn
Molecular Weight351.09 g/mol
Exact Mass352.18
IUPAC Name—
SMILESC=CC=C.CCCC[Sn](CCCC)CCCC.[Li]
InChIInChI=1S/3C4H9.C4H6.Li.Sn/c4*1-3-4-2;;/h3*1,3-4H2,2H3;3-4H,1-2H2;;
InChIKeyUAIVRBRTZHPYBH-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.09
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 161036779?
The IUPAC name of CID 161036779 (CID 161036779) is not available.
What is the SMILES notation for CID 161036779?
The canonical SMILES for CID 161036779 is C=CC=C.CCCC[Sn](CCCC)CCCC.[Li].
What is the InChIKey of CID 161036779?
The InChIKey is UAIVRBRTZHPYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C4H6.Li.Sn/c4*1-3-4-2;;/h3*1,3-4H2,2H3;3-4H,1-2H2;;.
What are the key properties of CID 161036779?
CID 161036779 has a molecular weight of 351.09 g/mol, XLogP of 5.86, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161036779 is sourced from PubChem (CID 161036779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).