bis((3S,5R)-3-tert-butyl-5-ethylcyclopentene);carbanide;iron(2+)

C24H46Fe — CID 158203588

IUPACbis((3S,5R)-3-tert-butyl-5-ethylcyclopentene);carbanide;iron(2+)
SMILESCC[C@H]1C=C[C@@H](C(C)(C)C)C1.CC[C@H]1C=C[C@@H](C(C)(C)C)C1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/2C11H20.2CH3.Fe/c2*1-5-9-6-7-10(8-9)11(2,3)4;;;/h2*6-7,9-10H,5,8H2,1-4H3;2*1H3;/q;;2*-1;+2/t2*9-,10+;;;/m00.../s1
InChIKeyGBFOJQXGDGNLTH-DAKAMQRPSA-N
MW390.48 g/mol
LogP8.17
Rot. Bonds2

About bis((3S,5R)-3-tert-butyl-5-ethylcyclopentene);carbanide;iron(2+)

bis((3S,5R)-3-tert-butyl-5-ethylcyclopentene);carbanide;iron(2+) (PubChem CID 158203588) has the molecular formula C24H46Fe and a molecular weight of 390.48 g/mol. Its IUPAC name is bis((3S,5R)-3-tert-butyl-5-ethylcyclopentene);carbanide;iron(2+).

Molecular Properties

Compound Namebis((3S,5R)-3-tert-butyl-5-ethylcyclopentene);carbanide;iron(2+)
PubChem CID158203588
Molecular FormulaC24H46Fe
Molecular Weight390.48 g/mol
Exact Mass390.29
IUPAC Namebis((3S,5R)-3-tert-butyl-5-ethylcyclopentene);carbanide;iron(2+)
SMILESCC[C@H]1C=C[C@@H](C(C)(C)C)C1.CC[C@H]1C=C[C@@H](C(C)(C)C)C1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/2C11H20.2CH3.Fe/c2*1-5-9-6-7-10(8-9)11(2,3)4;;;/h2*6-7,9-10H,5,8H2,1-4H3;2*1H3;/q;;2*-1;+2/t2*9-,10+;;;/m00.../s1
InChIKeyGBFOJQXGDGNLTH-DAKAMQRPSA-N
XLogP8.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 58.17
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 12026726
6-ethyl-3,4-dimethylcyclohexene
CID 123723236
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CID 23283002
2-(4-ethylcyclopent-2-en-1-yl)acetonitrile
CID 59796289
tert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate
CID 85373698
bis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+)
CID 162292801
1-(5-ethyl-2-methylcyclohex-3-en-1-yl)-N-methylmethanimine
CID 135270713
(3R)-3-tert-butylcyclohexene
CID 12523764
3-tert-butyl-2-ethylcyclobutan-1-ol
CID 81414996
3-ethyl-6-iodocyclohexene
CID 143978325
2-tert-butyl-6-ethyl-4-methylcyclohexan-1-ol
CID 123429982
3,6-ditert-butylcyclohexa-1,4-diene
CID 13283199

Frequently Asked Questions

What is the IUPAC name of bis((3S,5R)-3-tert-butyl-5-ethylcyclopentene);carbanide;iron(2+)?
The IUPAC name of bis((3S,5R)-3-tert-butyl-5-ethylcyclopentene);carbanide;iron(2+) (CID 158203588) is bis((3S,5R)-3-tert-butyl-5-ethylcyclopentene);carbanide;iron(2+).
What is the SMILES notation for bis((3S,5R)-3-tert-butyl-5-ethylcyclopentene);carbanide;iron(2+)?
The canonical SMILES for bis((3S,5R)-3-tert-butyl-5-ethylcyclopentene);carbanide;iron(2+) is CC[C@H]1C=C[C@@H](C(C)(C)C)C1.CC[C@H]1C=C[C@@H](C(C)(C)C)C1.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of bis((3S,5R)-3-tert-butyl-5-ethylcyclopentene);carbanide;iron(2+)?
The InChIKey is GBFOJQXGDGNLTH-DAKAMQRPSA-N. The full InChI is InChI=1S/2C11H20.2CH3.Fe/c2*1-5-9-6-7-10(8-9)11(2,3)4;;;/h2*6-7,9-10H,5,8H2,1-4H3;2*1H3;/q;;2*-1;+2/t2*9-,10+;;;/m00.../s1.
What are the key properties of bis((3S,5R)-3-tert-butyl-5-ethylcyclopentene);carbanide;iron(2+)?
bis((3S,5R)-3-tert-butyl-5-ethylcyclopentene);carbanide;iron(2+) has a molecular weight of 390.48 g/mol, XLogP of 8.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3S,5R)-3-tert-butyl-5-ethylcyclopentene);carbanide;iron(2+) is sourced from PubChem (CID 158203588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).