CID 173181829

C26H54Sn4 — CID 173181829

IUPAC—
SMILESCCCC[Sn](CCCC)CCCC.CCCC[Sn](CCCC)CCCC.[Sn]C#C[Sn]
InChIInChI=1S/6C4H9.C2.4Sn/c6*1-3-4-2;1-2;;;;/h6*1,3-4H2,2H3;;;;;
InChIKeyWMHBIIJYVDXHHJ-UHFFFAOYSA-N
MW841.56 g/mol
LogP9.00
Rot. Bonds18

About CID 173181829

CID 173181829 (PubChem CID 173181829) has the molecular formula C26H54Sn4 and a molecular weight of 841.56 g/mol.

Molecular Properties

Compound NameCID 173181829
PubChem CID173181829
Molecular FormulaC26H54Sn4
Molecular Weight841.56 g/mol
Exact Mass846.03
IUPAC Name—
SMILESCCCC[Sn](CCCC)CCCC.CCCC[Sn](CCCC)CCCC.[Sn]C#C[Sn]
InChIInChI=1S/6C4H9.C2.4Sn/c6*1-3-4-2;1-2;;;;/h6*1,3-4H2,2H3;;;;;
InChIKeyWMHBIIJYVDXHHJ-UHFFFAOYSA-N
XLogP9.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.56
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173181829?
The IUPAC name of CID 173181829 (CID 173181829) is not available.
What is the SMILES notation for CID 173181829?
The canonical SMILES for CID 173181829 is CCCC[Sn](CCCC)CCCC.CCCC[Sn](CCCC)CCCC.[Sn]C#C[Sn].
What is the InChIKey of CID 173181829?
The InChIKey is WMHBIIJYVDXHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C4H9.C2.4Sn/c6*1-3-4-2;1-2;;;;/h6*1,3-4H2,2H3;;;;;.
What are the key properties of CID 173181829?
CID 173181829 has a molecular weight of 841.56 g/mol, XLogP of 9.00, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173181829 is sourced from PubChem (CID 173181829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).