cyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron

C19H21FeP-6 — CID 174302734

IUPACcyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron
SMILESCC(C)P(c1ccccc1)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C14H16P.C5H5.Fe/c1-12(2)15(14-10-6-7-11-14)13-8-4-3-5-9-13;1-2-4-5-3-1;/h3-12H,1-2H3;1-5H;/q-1;-5;
InChIKeyMNYCSOYSLHLEQP-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.65
Rot. Bonds3

About cyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron

cyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron (PubChem CID 174302734) has the molecular formula C19H21FeP-6 and a molecular weight of 336.20 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron
PubChem CID174302734
Molecular FormulaC19H21FeP-6
Molecular Weight336.20 g/mol
Exact Mass336.08
IUPAC Namecyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron
SMILESCC(C)P(c1ccccc1)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C14H16P.C5H5.Fe/c1-12(2)15(14-10-6-7-11-14)13-8-4-3-5-9-13;1-2-4-5-3-1;/h3-12H,1-2H3;1-5H;/q-1;-5;
InChIKeyMNYCSOYSLHLEQP-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.65
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 cyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron?
The IUPAC name of cyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron (CID 174302734) is cyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron is CC(C)P(c1ccccc1)[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron?
The InChIKey is MNYCSOYSLHLEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16P.C5H5.Fe/c1-12(2)15(14-10-6-7-11-14)13-8-4-3-5-9-13;1-2-4-5-3-1;/h3-12H,1-2H3;1-5H;/q-1;-5;.
What are the key properties of cyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron?
cyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron has a molecular weight of 336.20 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl-phenyl-propan-2-ylphosphane;cyclopentane;iron is sourced from PubChem (CID 174302734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).