(3-cyclopenta-2,4-dien-1-yl-2,2,4,4-tetramethylpentan-3-yl)phosphane;cyclopentane;iron

C19H29FeP-6 — CID 87774535

IUPAC(3-cyclopenta-2,4-dien-1-yl-2,2,4,4-tetramethylpentan-3-yl)phosphane;cyclopentane;iron
SMILESCC(C)(C)C(P)([c-]1cccc1)C(C)(C)C.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C14H24P.C5H5.Fe/c1-12(2,3)14(15,13(4,5)6)11-9-7-8-10-11;1-2-4-5-3-1;/h7-10H,15H2,1-6H3;1-5H;/q-1;-5;
InChIKeyNZIAAAZKFCCVOK-UHFFFAOYSA-N
MW344.26 g/mol
LogP5.97
Rot. Bonds1

About (3-cyclopenta-2,4-dien-1-yl-2,2,4,4-tetramethylpentan-3-yl)phosphane;cyclopentane;iron

(3-cyclopenta-2,4-dien-1-yl-2,2,4,4-tetramethylpentan-3-yl)phosphane;cyclopentane;iron (PubChem CID 87774535) has the molecular formula C19H29FeP-6 and a molecular weight of 344.26 g/mol. Its IUPAC name is (3-cyclopenta-2,4-dien-1-yl-2,2,4,4-tetramethylpentan-3-yl)phosphane;cyclopentane;iron.

Molecular Properties

Compound Name(3-cyclopenta-2,4-dien-1-yl-2,2,4,4-tetramethylpentan-3-yl)phosphane;cyclopentane;iron
PubChem CID87774535
Molecular FormulaC19H29FeP-6
Molecular Weight344.26 g/mol
Exact Mass344.14
IUPAC Name(3-cyclopenta-2,4-dien-1-yl-2,2,4,4-tetramethylpentan-3-yl)phosphane;cyclopentane;iron
SMILESCC(C)(C)C(P)([c-]1cccc1)C(C)(C)C.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C14H24P.C5H5.Fe/c1-12(2,3)14(15,13(4,5)6)11-9-7-8-10-11;1-2-4-5-3-1;/h7-10H,15H2,1-6H3;1-5H;/q-1;-5;
InChIKeyNZIAAAZKFCCVOK-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.26
LogP ≤ 55.97
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 (3-cyclopenta-2,4-dien-1-yl-2,2,4,4-tetramethylpentan-3-yl)phosphane;cyclopentane;iron?
The IUPAC name of (3-cyclopenta-2,4-dien-1-yl-2,2,4,4-tetramethylpentan-3-yl)phosphane;cyclopentane;iron (CID 87774535) is (3-cyclopenta-2,4-dien-1-yl-2,2,4,4-tetramethylpentan-3-yl)phosphane;cyclopentane;iron.
What is the SMILES notation for (3-cyclopenta-2,4-dien-1-yl-2,2,4,4-tetramethylpentan-3-yl)phosphane;cyclopentane;iron?
The canonical SMILES for (3-cyclopenta-2,4-dien-1-yl-2,2,4,4-tetramethylpentan-3-yl)phosphane;cyclopentane;iron is CC(C)(C)C(P)([c-]1cccc1)C(C)(C)C.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of (3-cyclopenta-2,4-dien-1-yl-2,2,4,4-tetramethylpentan-3-yl)phosphane;cyclopentane;iron?
The InChIKey is NZIAAAZKFCCVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24P.C5H5.Fe/c1-12(2,3)14(15,13(4,5)6)11-9-7-8-10-11;1-2-4-5-3-1;/h7-10H,15H2,1-6H3;1-5H;/q-1;-5;.
What are the key properties of (3-cyclopenta-2,4-dien-1-yl-2,2,4,4-tetramethylpentan-3-yl)phosphane;cyclopentane;iron?
(3-cyclopenta-2,4-dien-1-yl-2,2,4,4-tetramethylpentan-3-yl)phosphane;cyclopentane;iron has a molecular weight of 344.26 g/mol, XLogP of 5.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopenta-2,4-dien-1-yl-2,2,4,4-tetramethylpentan-3-yl)phosphane;cyclopentane;iron is sourced from PubChem (CID 87774535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).