CID 101228929

C22H40GaIP2- — CID 101228929

IUPAC—
SMILESCC(C)(C)/[C]=P/C1CCCCC1.CC(C)(C)/[C]=P/C1CCCCC1.[Ga].[I-]
InChIInChI=1S/2C11H20P.Ga.HI/c2*1-11(2,3)9-12-10-7-5-4-6-8-10;;/h2*10H,4-8H2,1-3H3;;1H/p-1
InChIKeyHDXGJGONMFFBMY-UHFFFAOYSA-M
MW563.14 g/mol
LogP4.60
Rot. Bonds2

About CID 101228929

CID 101228929 (PubChem CID 101228929) has the molecular formula C22H40GaIP2- and a molecular weight of 563.14 g/mol.

Molecular Properties

Compound NameCID 101228929
PubChem CID101228929
Molecular FormulaC22H40GaIP2-
Molecular Weight563.14 g/mol
Exact Mass562.09
IUPAC Name—
SMILESCC(C)(C)/[C]=P/C1CCCCC1.CC(C)(C)/[C]=P/C1CCCCC1.[Ga].[I-]
InChIInChI=1S/2C11H20P.Ga.HI/c2*1-11(2,3)9-12-10-7-5-4-6-8-10;;/h2*10H,4-8H2,1-3H3;;1H/p-1
InChIKeyHDXGJGONMFFBMY-UHFFFAOYSA-M
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.14
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 101228929 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 101228929?
The IUPAC name of CID 101228929 (CID 101228929) is not available.
What is the SMILES notation for CID 101228929?
The canonical SMILES for CID 101228929 is CC(C)(C)/[C]=P/C1CCCCC1.CC(C)(C)/[C]=P/C1CCCCC1.[Ga].[I-].
What is the InChIKey of CID 101228929?
The InChIKey is HDXGJGONMFFBMY-UHFFFAOYSA-M. The full InChI is InChI=1S/2C11H20P.Ga.HI/c2*1-11(2,3)9-12-10-7-5-4-6-8-10;;/h2*10H,4-8H2,1-3H3;;1H/p-1.
What are the key properties of CID 101228929?
CID 101228929 has a molecular weight of 563.14 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101228929 is sourced from PubChem (CID 101228929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).