carbanide;cyclopentyl(diphenyl)phosphane;iron(2+);methylcyclopentane

C24H33FeP — CID 162297451

IUPACcarbanide;cyclopentyl(diphenyl)phosphane;iron(2+);methylcyclopentane
SMILESCC1CCCC1.[CH3-].[Fe+2].c1ccc(P(c2ccccc2)C2[CH-]CCC2)cc1
InChIInChI=1S/C17H18P.C6H12.CH3.Fe/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-6-4-2-3-5-6;;/h1-6,9-13,17H,7-8,14H2;6H,2-5H2,1H3;1H3;/q-1;;-1;+2
InChIKeyLOZOAAKGVOZICJ-UHFFFAOYSA-N
MW408.35 g/mol
LogP6.52
Rot. Bonds3

About carbanide;cyclopentyl(diphenyl)phosphane;iron(2+);methylcyclopentane

carbanide;cyclopentyl(diphenyl)phosphane;iron(2+);methylcyclopentane (PubChem CID 162297451) has the molecular formula C24H33FeP and a molecular weight of 408.35 g/mol. Its IUPAC name is carbanide;cyclopentyl(diphenyl)phosphane;iron(2+);methylcyclopentane.

Molecular Properties

Compound Namecarbanide;cyclopentyl(diphenyl)phosphane;iron(2+);methylcyclopentane
PubChem CID162297451
Molecular FormulaC24H33FeP
Molecular Weight408.35 g/mol
Exact Mass408.17
IUPAC Namecarbanide;cyclopentyl(diphenyl)phosphane;iron(2+);methylcyclopentane
SMILESCC1CCCC1.[CH3-].[Fe+2].c1ccc(P(c2ccccc2)C2[CH-]CCC2)cc1
InChIInChI=1S/C17H18P.C6H12.CH3.Fe/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-6-4-2-3-5-6;;/h1-6,9-13,17H,7-8,14H2;6H,2-5H2,1H3;1H3;/q-1;;-1;+2
InChIKeyLOZOAAKGVOZICJ-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.35
LogP ≤ 56.52
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'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentyl(diphenyl)phosphane;iron(2+);methylcyclopentane?
The IUPAC name of carbanide;cyclopentyl(diphenyl)phosphane;iron(2+);methylcyclopentane (CID 162297451) is carbanide;cyclopentyl(diphenyl)phosphane;iron(2+);methylcyclopentane.
What is the SMILES notation for carbanide;cyclopentyl(diphenyl)phosphane;iron(2+);methylcyclopentane?
The canonical SMILES for carbanide;cyclopentyl(diphenyl)phosphane;iron(2+);methylcyclopentane is CC1CCCC1.[CH3-].[Fe+2].c1ccc(P(c2ccccc2)C2[CH-]CCC2)cc1.
What is the InChIKey of carbanide;cyclopentyl(diphenyl)phosphane;iron(2+);methylcyclopentane?
The InChIKey is LOZOAAKGVOZICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18P.C6H12.CH3.Fe/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-6-4-2-3-5-6;;/h1-6,9-13,17H,7-8,14H2;6H,2-5H2,1H3;1H3;/q-1;;-1;+2.
What are the key properties of carbanide;cyclopentyl(diphenyl)phosphane;iron(2+);methylcyclopentane?
carbanide;cyclopentyl(diphenyl)phosphane;iron(2+);methylcyclopentane has a molecular weight of 408.35 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentyl(diphenyl)phosphane;iron(2+);methylcyclopentane is sourced from PubChem (CID 162297451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).