1-cyclopenta-2,4-dien-1-ylpropan-2-ylsilane;cyclopentane;iron

C13H18FeSi-6 — CID 173174965

IUPAC1-cyclopenta-2,4-dien-1-ylpropan-2-ylsilane;cyclopentane;iron
SMILESCC([SiH3])C[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C8H13Si.C5H5.Fe/c1-7(9)6-8-4-2-3-5-8;1-2-4-5-3-1;/h2-5,7H,6H2,1,9H3;1-5H;/q-1;-5;
InChIKeyWLYLWPGSVSLPCX-UHFFFAOYSA-N
MW258.22 g/mol
LogP2.52
Rot. Bonds2

About 1-cyclopenta-2,4-dien-1-ylpropan-2-ylsilane;cyclopentane;iron

1-cyclopenta-2,4-dien-1-ylpropan-2-ylsilane;cyclopentane;iron (PubChem CID 173174965) has the molecular formula C13H18FeSi-6 and a molecular weight of 258.22 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylpropan-2-ylsilane;cyclopentane;iron.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylpropan-2-ylsilane;cyclopentane;iron
PubChem CID173174965
Molecular FormulaC13H18FeSi-6
Molecular Weight258.22 g/mol
Exact Mass258.06
IUPAC Name1-cyclopenta-2,4-dien-1-ylpropan-2-ylsilane;cyclopentane;iron
SMILESCC([SiH3])C[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C8H13Si.C5H5.Fe/c1-7(9)6-8-4-2-3-5-8;1-2-4-5-3-1;/h2-5,7H,6H2,1,9H3;1-5H;/q-1;-5;
InChIKeyWLYLWPGSVSLPCX-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 52.52
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'}

Analyze 1-cyclopenta-2,4-dien-1-ylpropan-2-ylsilane;cyclopentane;iron with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylpropan-2-ylsilane;cyclopentane;iron?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylpropan-2-ylsilane;cyclopentane;iron (CID 173174965) is 1-cyclopenta-2,4-dien-1-ylpropan-2-ylsilane;cyclopentane;iron.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylpropan-2-ylsilane;cyclopentane;iron?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylpropan-2-ylsilane;cyclopentane;iron is CC([SiH3])C[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylpropan-2-ylsilane;cyclopentane;iron?
The InChIKey is WLYLWPGSVSLPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Si.C5H5.Fe/c1-7(9)6-8-4-2-3-5-8;1-2-4-5-3-1;/h2-5,7H,6H2,1,9H3;1-5H;/q-1;-5;.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylpropan-2-ylsilane;cyclopentane;iron?
1-cyclopenta-2,4-dien-1-ylpropan-2-ylsilane;cyclopentane;iron has a molecular weight of 258.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylpropan-2-ylsilane;cyclopentane;iron is sourced from PubChem (CID 173174965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).