carbanide;cyclopentylphosphane;iron(2+);methane

C16H44FeP2 — CID 162269543

IUPACcarbanide;cyclopentylphosphane;iron(2+);methane
SMILESC.C.C.C.PC1CCCC1.PC1CCCC1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/2C5H11P.4CH4.2CH3.Fe/c2*6-5-3-1-2-4-5;;;;;;;/h2*5H,1-4,6H2;4*1H4;2*1H3;/q;;;;;;2*-1;+2
InChIKeyHQEAETNRJZVFIN-UHFFFAOYSA-N
MW354.32 g/mol
LogP7.05
Rot. Bonds

About carbanide;cyclopentylphosphane;iron(2+);methane

carbanide;cyclopentylphosphane;iron(2+);methane (PubChem CID 162269543) has the molecular formula C16H44FeP2 and a molecular weight of 354.32 g/mol. Its IUPAC name is carbanide;cyclopentylphosphane;iron(2+);methane.

Molecular Properties

Compound Namecarbanide;cyclopentylphosphane;iron(2+);methane
PubChem CID162269543
Molecular FormulaC16H44FeP2
Molecular Weight354.32 g/mol
Exact Mass354.23
IUPAC Namecarbanide;cyclopentylphosphane;iron(2+);methane
SMILESC.C.C.C.PC1CCCC1.PC1CCCC1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/2C5H11P.4CH4.2CH3.Fe/c2*6-5-3-1-2-4-5;;;;;;;/h2*5H,1-4,6H2;4*1H4;2*1H3;/q;;;;;;2*-1;+2
InChIKeyHQEAETNRJZVFIN-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.32
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;cyclopentylphosphane;iron(2+);methane 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 carbanide;cyclopentylphosphane;iron(2+);methane?
The IUPAC name of carbanide;cyclopentylphosphane;iron(2+);methane (CID 162269543) is carbanide;cyclopentylphosphane;iron(2+);methane.
What is the SMILES notation for carbanide;cyclopentylphosphane;iron(2+);methane?
The canonical SMILES for carbanide;cyclopentylphosphane;iron(2+);methane is C.C.C.C.PC1CCCC1.PC1CCCC1.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of carbanide;cyclopentylphosphane;iron(2+);methane?
The InChIKey is HQEAETNRJZVFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11P.4CH4.2CH3.Fe/c2*6-5-3-1-2-4-5;;;;;;;/h2*5H,1-4,6H2;4*1H4;2*1H3;/q;;;;;;2*-1;+2.
What are the key properties of carbanide;cyclopentylphosphane;iron(2+);methane?
carbanide;cyclopentylphosphane;iron(2+);methane has a molecular weight of 354.32 g/mol, XLogP of 7.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentylphosphane;iron(2+);methane is sourced from PubChem (CID 162269543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).