alumane;cyclopenta-1,3-diene;cyclopentane;iron;hydrochloride

C10H14AlClFe-6 — CID 173320155

IUPACalumane;cyclopenta-1,3-diene;cyclopentane;iron;hydrochloride
SMILESCl.[AlH3].[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.Al.ClH.Fe.3H/c2*1-2-4-5-3-1;;;;;;/h2*1-5H;;1H;;;;/q-5;-1;;;;;;
InChIKeyWNSVYVCLLBMMQY-UHFFFAOYSA-N
MW252.50 g/mol
LogP2.05
Rot. Bonds

About alumane;cyclopenta-1,3-diene;cyclopentane;iron;hydrochloride

alumane;cyclopenta-1,3-diene;cyclopentane;iron;hydrochloride (PubChem CID 173320155) has the molecular formula C10H14AlClFe-6 and a molecular weight of 252.50 g/mol. Its IUPAC name is alumane;cyclopenta-1,3-diene;cyclopentane;iron;hydrochloride.

Molecular Properties

Compound Namealumane;cyclopenta-1,3-diene;cyclopentane;iron;hydrochloride
PubChem CID173320155
Molecular FormulaC10H14AlClFe-6
Molecular Weight252.50 g/mol
Exact Mass252.00
IUPAC Namealumane;cyclopenta-1,3-diene;cyclopentane;iron;hydrochloride
SMILESCl.[AlH3].[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.Al.ClH.Fe.3H/c2*1-2-4-5-3-1;;;;;;/h2*1-5H;;1H;;;;/q-5;-1;;;;;;
InChIKeyWNSVYVCLLBMMQY-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.50
LogP ≤ 52.05
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'}

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Related Compounds

cyclopenta-1,3-diene;cyclopentane;iron;hydrofluoride
CID 175426110
magnesium;cyclopenta-1,3-diene;cyclopentane;hydride;iron
CID 173382840
cyclopenta-1,3-diene;cyclopentane;tantalum dihydride
CID 11984734
cyclohexane;cyclopenta-1,3-diene;cyclopentane;iron
CID 174474738
carbanide;cyclopenta-1,3-diene;cyclopentane;titanium
CID 11986536
pentakis(cyclopenta-1,3-diene);cyclopentane;hafnium;trihydrate
CID 11985834
bis(cyclopenta-1,3-diene);iron;iron(2+)
CID 160503469
cyclopenta-1,3-diene;cyclopentane;molybdenum;bis(prop-1-yne)
CID 11986784
bis(cyclopenta-1,3-diene);gold
CID 140990202
cobalt;cyclopenta-1,3-diene
CID 25199992
bis(cyclopenta-1,3-diene);nickel
CID 25199994
bis(cyclopenta-1,3-diene);uranium(2+)
CID 154419061

Frequently Asked Questions

What is the IUPAC name of alumane;cyclopenta-1,3-diene;cyclopentane;iron;hydrochloride?
The IUPAC name of alumane;cyclopenta-1,3-diene;cyclopentane;iron;hydrochloride (CID 173320155) is alumane;cyclopenta-1,3-diene;cyclopentane;iron;hydrochloride.
What is the SMILES notation for alumane;cyclopenta-1,3-diene;cyclopentane;iron;hydrochloride?
The canonical SMILES for alumane;cyclopenta-1,3-diene;cyclopentane;iron;hydrochloride is Cl.[AlH3].[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.
What is the InChIKey of alumane;cyclopenta-1,3-diene;cyclopentane;iron;hydrochloride?
The InChIKey is WNSVYVCLLBMMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.Al.ClH.Fe.3H/c2*1-2-4-5-3-1;;;;;;/h2*1-5H;;1H;;;;/q-5;-1;;;;;;.
What are the key properties of alumane;cyclopenta-1,3-diene;cyclopentane;iron;hydrochloride?
alumane;cyclopenta-1,3-diene;cyclopentane;iron;hydrochloride has a molecular weight of 252.50 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;cyclopenta-1,3-diene;cyclopentane;iron;hydrochloride is sourced from PubChem (CID 173320155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).