bis(cyclopenta-2,4-dien-1-yl(diethyl)phosphane);iron(2+)

C18H28FeP2 — CID 15913634

IUPACbis(cyclopenta-2,4-dien-1-yl(diethyl)phosphane);iron(2+)
SMILESCCP(CC)[c-]1cccc1.CCP(CC)[c-]1cccc1.[Fe+2]
InChIInChI=1S/2C9H14P.Fe/c2*1-3-10(4-2)9-7-5-6-8-9;/h2*5-8H,3-4H2,1-2H3;/q2*-1;+2
InChIKeyBCPVFKXAPLQYIE-UHFFFAOYSA-N
MW362.22 g/mol
LogP5.10
Rot. Bonds6

About bis(cyclopenta-2,4-dien-1-yl(diethyl)phosphane);iron(2+)

bis(cyclopenta-2,4-dien-1-yl(diethyl)phosphane);iron(2+) (PubChem CID 15913634) has the molecular formula C18H28FeP2 and a molecular weight of 362.22 g/mol. Its IUPAC name is bis(cyclopenta-2,4-dien-1-yl(diethyl)phosphane);iron(2+).

Molecular Properties

Compound Namebis(cyclopenta-2,4-dien-1-yl(diethyl)phosphane);iron(2+)
PubChem CID15913634
Molecular FormulaC18H28FeP2
Molecular Weight362.22 g/mol
Exact Mass362.10
IUPAC Namebis(cyclopenta-2,4-dien-1-yl(diethyl)phosphane);iron(2+)
SMILESCCP(CC)[c-]1cccc1.CCP(CC)[c-]1cccc1.[Fe+2]
InChIInChI=1S/2C9H14P.Fe/c2*1-3-10(4-2)9-7-5-6-8-9;/h2*5-8H,3-4H2,1-2H3;/q2*-1;+2
InChIKeyBCPVFKXAPLQYIE-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.22
LogP ≤ 55.10
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 bis(cyclopenta-2,4-dien-1-yl(diethyl)phosphane);iron(2+) with MolForge

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

Launch Full Analysis

Related Compounds

cobalt;cyclopenta-2,4-dien-1-yl(diethyl)phosphane;cyclopentane
CID 174798718
dibenzyl(cyclopenta-2,4-dien-1-yl)phosphane;dibenzyl-(2,3-dichlorocyclopenta-2,4-dien-1-yl)phosphane;iron(2+)
CID 164702802
cyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron
CID 174302734
cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+)
CID 15776323
bis(5-propylcyclopenta-1,3-diene);titanium(2+)
CID 154426293
iron(2+);bis(5-methylsulfanylcyclopenta-1,3-diene)
CID 15810019
5-propylcyclopenta-1,3-diene;zirconium(3+);dichloride
CID 175833088
lithium cyclopenta-2,4-dien-1-yl(triethyl)silane
CID 155669997
ethanolate;bis(5-ethylcyclopenta-1,3-diene);zirconium(4+)
CID 158296157
cyclopenta-2,4-dien-1-yl(diphenyl)phosphane;cyclopentane;ruthenium
CID 174391548
(S)-ethyl-methyl-phosphanylphosphane
CID 174081358
benzene;propane
CID 22402732

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-2,4-dien-1-yl(diethyl)phosphane);iron(2+)?
The IUPAC name of bis(cyclopenta-2,4-dien-1-yl(diethyl)phosphane);iron(2+) (CID 15913634) is bis(cyclopenta-2,4-dien-1-yl(diethyl)phosphane);iron(2+).
What is the SMILES notation for bis(cyclopenta-2,4-dien-1-yl(diethyl)phosphane);iron(2+)?
The canonical SMILES for bis(cyclopenta-2,4-dien-1-yl(diethyl)phosphane);iron(2+) is CCP(CC)[c-]1cccc1.CCP(CC)[c-]1cccc1.[Fe+2].
What is the InChIKey of bis(cyclopenta-2,4-dien-1-yl(diethyl)phosphane);iron(2+)?
The InChIKey is BCPVFKXAPLQYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H14P.Fe/c2*1-3-10(4-2)9-7-5-6-8-9;/h2*5-8H,3-4H2,1-2H3;/q2*-1;+2.
What are the key properties of bis(cyclopenta-2,4-dien-1-yl(diethyl)phosphane);iron(2+)?
bis(cyclopenta-2,4-dien-1-yl(diethyl)phosphane);iron(2+) has a molecular weight of 362.22 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-2,4-dien-1-yl(diethyl)phosphane);iron(2+) is sourced from PubChem (CID 15913634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).