CID 173029686

C30H68FISn2 — CID 173029686

IUPAC—
SMILESCC(C)CC[Sn](CCC(C)C)CCC(C)C.CC(C)CC[Sn](CCC(C)C)CCC(C)C.F.I
InChIInChI=1S/6C5H11.FH.HI.2Sn/c6*1-4-5(2)3;;;;/h6*5H,1,4H2,2-3H3;2*1H;;
InChIKeyBNUQBIMXSOAIEB-UHFFFAOYSA-N
MW812.20 g/mol
LogP12.01
Rot. Bonds18

About CID 173029686

CID 173029686 (PubChem CID 173029686) has the molecular formula C30H68FISn2 and a molecular weight of 812.20 g/mol.

Molecular Properties

Compound NameCID 173029686
PubChem CID173029686
Molecular FormulaC30H68FISn2
Molecular Weight812.20 g/mol
Exact Mass814.24
IUPAC Name—
SMILESCC(C)CC[Sn](CCC(C)C)CCC(C)C.CC(C)CC[Sn](CCC(C)C)CCC(C)C.F.I
InChIInChI=1S/6C5H11.FH.HI.2Sn/c6*1-4-5(2)3;;;;/h6*5H,1,4H2,2-3H3;2*1H;;
InChIKeyBNUQBIMXSOAIEB-UHFFFAOYSA-N
XLogP12.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.20
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 173029686 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 173029686?
The IUPAC name of CID 173029686 (CID 173029686) is not available.
What is the SMILES notation for CID 173029686?
The canonical SMILES for CID 173029686 is CC(C)CC[Sn](CCC(C)C)CCC(C)C.CC(C)CC[Sn](CCC(C)C)CCC(C)C.F.I.
What is the InChIKey of CID 173029686?
The InChIKey is BNUQBIMXSOAIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/6C5H11.FH.HI.2Sn/c6*1-4-5(2)3;;;;/h6*5H,1,4H2,2-3H3;2*1H;;.
What are the key properties of CID 173029686?
CID 173029686 has a molecular weight of 812.20 g/mol, XLogP of 12.01, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173029686 is sourced from PubChem (CID 173029686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).