ethane;iron;bis(methyl-(2-propan-2-ylcyclopentyl)phosphane)

C20H44FeP2 — CID 162284060

IUPACethane;iron;bis(methyl-(2-propan-2-ylcyclopentyl)phosphane)
SMILESCC.CPC1CCCC1C(C)C.CPC1CCCC1C(C)C.[Fe]
InChIInChI=1S/2C9H19P.C2H6.Fe/c2*1-7(2)8-5-4-6-9(8)10-3;1-2;/h2*7-10H,4-6H2,1-3H3;1-2H3;
InChIKeyGJSTUUTZNCRNMV-UHFFFAOYSA-N
MW402.37 g/mol
LogP7.26
Rot. Bonds4

About ethane;iron;bis(methyl-(2-propan-2-ylcyclopentyl)phosphane)

ethane;iron;bis(methyl-(2-propan-2-ylcyclopentyl)phosphane) (PubChem CID 162284060) has the molecular formula C20H44FeP2 and a molecular weight of 402.37 g/mol. Its IUPAC name is ethane;iron;bis(methyl-(2-propan-2-ylcyclopentyl)phosphane).

Molecular Properties

Compound Nameethane;iron;bis(methyl-(2-propan-2-ylcyclopentyl)phosphane)
PubChem CID162284060
Molecular FormulaC20H44FeP2
Molecular Weight402.37 g/mol
Exact Mass402.23
IUPAC Nameethane;iron;bis(methyl-(2-propan-2-ylcyclopentyl)phosphane)
SMILESCC.CPC1CCCC1C(C)C.CPC1CCCC1C(C)C.[Fe]
InChIInChI=1S/2C9H19P.C2H6.Fe/c2*1-7(2)8-5-4-6-9(8)10-3;1-2;/h2*7-10H,4-6H2,1-3H3;1-2H3;
InChIKeyGJSTUUTZNCRNMV-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.37
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;iron;bis(methyl-(2-propan-2-ylcyclopentyl)phosphane)?
The IUPAC name of ethane;iron;bis(methyl-(2-propan-2-ylcyclopentyl)phosphane) (CID 162284060) is ethane;iron;bis(methyl-(2-propan-2-ylcyclopentyl)phosphane).
What is the SMILES notation for ethane;iron;bis(methyl-(2-propan-2-ylcyclopentyl)phosphane)?
The canonical SMILES for ethane;iron;bis(methyl-(2-propan-2-ylcyclopentyl)phosphane) is CC.CPC1CCCC1C(C)C.CPC1CCCC1C(C)C.[Fe].
What is the InChIKey of ethane;iron;bis(methyl-(2-propan-2-ylcyclopentyl)phosphane)?
The InChIKey is GJSTUUTZNCRNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19P.C2H6.Fe/c2*1-7(2)8-5-4-6-9(8)10-3;1-2;/h2*7-10H,4-6H2,1-3H3;1-2H3;.
What are the key properties of ethane;iron;bis(methyl-(2-propan-2-ylcyclopentyl)phosphane)?
ethane;iron;bis(methyl-(2-propan-2-ylcyclopentyl)phosphane) has a molecular weight of 402.37 g/mol, XLogP of 7.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;iron;bis(methyl-(2-propan-2-ylcyclopentyl)phosphane) is sourced from PubChem (CID 162284060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).