cyclopentane;[3-[2-(2,4-dimethyl-3-phosphanylpentan-3-yl)cyclopenta-2,4-dien-1-yl]-2,4-dimethylpentan-3-yl]phosphane;iron

C24H40FeP2-6 — CID 87382315

IUPACcyclopentane;[3-[2-(2,4-dimethyl-3-phosphanylpentan-3-yl)cyclopenta-2,4-dien-1-yl]-2,4-dimethylpentan-3-yl]phosphane;iron
SMILESCC(C)C(P)(c1ccc[c-]1C(P)(C(C)C)C(C)C)C(C)C.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C19H35P2.C5H5.Fe/c1-12(2)18(20,13(3)4)16-10-9-11-17(16)19(21,14(5)6)15(7)8;1-2-4-5-3-1;/h9-15H,20-21H2,1-8H3;1-5H;/q-1;-5;
InChIKeyGQWUSOMPTBPCLR-UHFFFAOYSA-N
MW446.38 g/mol
LogP7.57
Rot. Bonds6

About cyclopentane;[3-[2-(2,4-dimethyl-3-phosphanylpentan-3-yl)cyclopenta-2,4-dien-1-yl]-2,4-dimethylpentan-3-yl]phosphane;iron

cyclopentane;[3-[2-(2,4-dimethyl-3-phosphanylpentan-3-yl)cyclopenta-2,4-dien-1-yl]-2,4-dimethylpentan-3-yl]phosphane;iron (PubChem CID 87382315) has the molecular formula C24H40FeP2-6 and a molecular weight of 446.38 g/mol. Its IUPAC name is cyclopentane;[3-[2-(2,4-dimethyl-3-phosphanylpentan-3-yl)cyclopenta-2,4-dien-1-yl]-2,4-dimethylpentan-3-yl]phosphane;iron.

Molecular Properties

Compound Namecyclopentane;[3-[2-(2,4-dimethyl-3-phosphanylpentan-3-yl)cyclopenta-2,4-dien-1-yl]-2,4-dimethylpentan-3-yl]phosphane;iron
PubChem CID87382315
Molecular FormulaC24H40FeP2-6
Molecular Weight446.38 g/mol
Exact Mass446.20
IUPAC Namecyclopentane;[3-[2-(2,4-dimethyl-3-phosphanylpentan-3-yl)cyclopenta-2,4-dien-1-yl]-2,4-dimethylpentan-3-yl]phosphane;iron
SMILESCC(C)C(P)(c1ccc[c-]1C(P)(C(C)C)C(C)C)C(C)C.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C19H35P2.C5H5.Fe/c1-12(2)18(20,13(3)4)16-10-9-11-17(16)19(21,14(5)6)15(7)8;1-2-4-5-3-1;/h9-15H,20-21H2,1-8H3;1-5H;/q-1;-5;
InChIKeyGQWUSOMPTBPCLR-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.38
LogP ≤ 57.57
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 cyclopentane;[3-[2-(2,4-dimethyl-3-phosphanylpentan-3-yl)cyclopenta-2,4-dien-1-yl]-2,4-dimethylpentan-3-yl]phosphane;iron?
The IUPAC name of cyclopentane;[3-[2-(2,4-dimethyl-3-phosphanylpentan-3-yl)cyclopenta-2,4-dien-1-yl]-2,4-dimethylpentan-3-yl]phosphane;iron (CID 87382315) is cyclopentane;[3-[2-(2,4-dimethyl-3-phosphanylpentan-3-yl)cyclopenta-2,4-dien-1-yl]-2,4-dimethylpentan-3-yl]phosphane;iron.
What is the SMILES notation for cyclopentane;[3-[2-(2,4-dimethyl-3-phosphanylpentan-3-yl)cyclopenta-2,4-dien-1-yl]-2,4-dimethylpentan-3-yl]phosphane;iron?
The canonical SMILES for cyclopentane;[3-[2-(2,4-dimethyl-3-phosphanylpentan-3-yl)cyclopenta-2,4-dien-1-yl]-2,4-dimethylpentan-3-yl]phosphane;iron is CC(C)C(P)(c1ccc[c-]1C(P)(C(C)C)C(C)C)C(C)C.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;[3-[2-(2,4-dimethyl-3-phosphanylpentan-3-yl)cyclopenta-2,4-dien-1-yl]-2,4-dimethylpentan-3-yl]phosphane;iron?
The InChIKey is GQWUSOMPTBPCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35P2.C5H5.Fe/c1-12(2)18(20,13(3)4)16-10-9-11-17(16)19(21,14(5)6)15(7)8;1-2-4-5-3-1;/h9-15H,20-21H2,1-8H3;1-5H;/q-1;-5;.
What are the key properties of cyclopentane;[3-[2-(2,4-dimethyl-3-phosphanylpentan-3-yl)cyclopenta-2,4-dien-1-yl]-2,4-dimethylpentan-3-yl]phosphane;iron?
cyclopentane;[3-[2-(2,4-dimethyl-3-phosphanylpentan-3-yl)cyclopenta-2,4-dien-1-yl]-2,4-dimethylpentan-3-yl]phosphane;iron has a molecular weight of 446.38 g/mol, XLogP of 7.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;[3-[2-(2,4-dimethyl-3-phosphanylpentan-3-yl)cyclopenta-2,4-dien-1-yl]-2,4-dimethylpentan-3-yl]phosphane;iron is sourced from PubChem (CID 87382315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).