carbanide;iron(2+);bis(propan-2-ylcyclopentane)

C18H38Fe — CID 162282173

IUPACcarbanide;iron(2+);bis(propan-2-ylcyclopentane)
SMILESCC(C)C1CCCC1.CC(C)C1CCCC1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/2C8H16.2CH3.Fe/c2*1-7(2)8-5-3-4-6-8;;;/h2*7-8H,3-6H2,1-2H3;2*1H3;/q;;2*-1;+2
InChIKeyCIWYWBPSSSAQMX-UHFFFAOYSA-N
MW310.35 g/mol
LogP6.56
Rot. Bonds2

About carbanide;iron(2+);bis(propan-2-ylcyclopentane)

carbanide;iron(2+);bis(propan-2-ylcyclopentane) (PubChem CID 162282173) has the molecular formula C18H38Fe and a molecular weight of 310.35 g/mol. Its IUPAC name is carbanide;iron(2+);bis(propan-2-ylcyclopentane).

Molecular Properties

Compound Namecarbanide;iron(2+);bis(propan-2-ylcyclopentane)
PubChem CID162282173
Molecular FormulaC18H38Fe
Molecular Weight310.35 g/mol
Exact Mass310.23
IUPAC Namecarbanide;iron(2+);bis(propan-2-ylcyclopentane)
SMILESCC(C)C1CCCC1.CC(C)C1CCCC1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/2C8H16.2CH3.Fe/c2*1-7(2)8-5-3-4-6-8;;;/h2*7-8H,3-6H2,1-2H3;2*1H3;/q;;2*-1;+2
InChIKeyCIWYWBPSSSAQMX-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.35
LogP ≤ 56.56
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

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N-[bis(dimethylamino)silyl]-N-methylmethanamine;carbanide;lanthanum(3+);tris(propan-2-ylcyclopentane)
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1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
N-cyclopentyl-4-propan-2-ylcyclohexan-1-amine
CID 58841003
propan-2-ylcyclopropane;hydroiodide
CID 162314014
carbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+)
CID 137319736
1,1-di(propan-2-yl)cyclopentane;propan-2-ylcyclopentane
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CID 118389510

Frequently Asked Questions

What is the IUPAC name of carbanide;iron(2+);bis(propan-2-ylcyclopentane)?
The IUPAC name of carbanide;iron(2+);bis(propan-2-ylcyclopentane) (CID 162282173) is carbanide;iron(2+);bis(propan-2-ylcyclopentane).
What is the SMILES notation for carbanide;iron(2+);bis(propan-2-ylcyclopentane)?
The canonical SMILES for carbanide;iron(2+);bis(propan-2-ylcyclopentane) is CC(C)C1CCCC1.CC(C)C1CCCC1.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of carbanide;iron(2+);bis(propan-2-ylcyclopentane)?
The InChIKey is CIWYWBPSSSAQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16.2CH3.Fe/c2*1-7(2)8-5-3-4-6-8;;;/h2*7-8H,3-6H2,1-2H3;2*1H3;/q;;2*-1;+2.
What are the key properties of carbanide;iron(2+);bis(propan-2-ylcyclopentane)?
carbanide;iron(2+);bis(propan-2-ylcyclopentane) has a molecular weight of 310.35 g/mol, XLogP of 6.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;iron(2+);bis(propan-2-ylcyclopentane) is sourced from PubChem (CID 162282173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).