cyclopentane;iron;5-tetradecylcyclopenta-1,3-diene

C24H38Fe-6 — CID 175437566

IUPACcyclopentane;iron;5-tetradecylcyclopenta-1,3-diene
SMILESCCCCCCCCCCCCCC[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C19H33.C5H5.Fe/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-19;1-2-4-5-3-1;/h14-15,17-18H,2-13,16H2,1H3;1-5H;/q-1;-5;
InChIKeyVYWUGQLOTKJLHF-UHFFFAOYSA-N
MW382.41 g/mol
LogP8.05
Rot. Bonds13

About cyclopentane;iron;5-tetradecylcyclopenta-1,3-diene

cyclopentane;iron;5-tetradecylcyclopenta-1,3-diene (PubChem CID 175437566) has the molecular formula C24H38Fe-6 and a molecular weight of 382.41 g/mol. Its IUPAC name is cyclopentane;iron;5-tetradecylcyclopenta-1,3-diene.

Molecular Properties

Compound Namecyclopentane;iron;5-tetradecylcyclopenta-1,3-diene
PubChem CID175437566
Molecular FormulaC24H38Fe-6
Molecular Weight382.41 g/mol
Exact Mass382.24
IUPAC Namecyclopentane;iron;5-tetradecylcyclopenta-1,3-diene
SMILESCCCCCCCCCCCCCC[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1
InChIInChI=1S/C19H33.C5H5.Fe/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-19;1-2-4-5-3-1;/h14-15,17-18H,2-13,16H2,1H3;1-5H;/q-1;-5;
InChIKeyVYWUGQLOTKJLHF-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.41
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze cyclopentane;iron;5-tetradecylcyclopenta-1,3-diene with MolForge

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

Launch Full Analysis

Related Compounds

5-(11-bromoundecyl)cyclopenta-1,3-diene;cyclopentane;iron
CID 87674044
5-butylcyclopenta-1,3-diene;zirconium(3+);difluoride
CID 158815990
cyclopentane;1,5-dihexylcyclopenta-1,3-diene;iron
CID 173056293
cyclopenta-1,3-diene;5-(1-cyclopenta-2,4-dien-1-yloctyl)cyclopenta-1,3-diene;cyclopentane;iron
CID 173056174
1-cyclopenta-2,4-dien-1-ylpropan-2-ylsilane;cyclopentane;iron
CID 173174965
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
dohexacontane
CID 522644
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of cyclopentane;iron;5-tetradecylcyclopenta-1,3-diene?
The IUPAC name of cyclopentane;iron;5-tetradecylcyclopenta-1,3-diene (CID 175437566) is cyclopentane;iron;5-tetradecylcyclopenta-1,3-diene.
What is the SMILES notation for cyclopentane;iron;5-tetradecylcyclopenta-1,3-diene?
The canonical SMILES for cyclopentane;iron;5-tetradecylcyclopenta-1,3-diene is CCCCCCCCCCCCCC[c-]1cccc1.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;iron;5-tetradecylcyclopenta-1,3-diene?
The InChIKey is VYWUGQLOTKJLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33.C5H5.Fe/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-19;1-2-4-5-3-1;/h14-15,17-18H,2-13,16H2,1H3;1-5H;/q-1;-5;.
What are the key properties of cyclopentane;iron;5-tetradecylcyclopenta-1,3-diene?
cyclopentane;iron;5-tetradecylcyclopenta-1,3-diene has a molecular weight of 382.41 g/mol, XLogP of 8.05, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;iron;5-tetradecylcyclopenta-1,3-diene is sourced from PubChem (CID 175437566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).