carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+)

C13H26FeO — CID 91654218

IUPACcarbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+)
SMILESC1CCCC1.O=CC1CCCC1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C6H10O.C5H10.2CH3.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;;;/h5-6H,1-4H2;1-5H2;2*1H3;/q;;2*-1;+2
InChIKeyOCSZAJRKHSVXGF-UHFFFAOYSA-N
MW254.19 g/mol
LogP4.22
Rot. Bonds1

About carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+)

carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+) (PubChem CID 91654218) has the molecular formula C13H26FeO and a molecular weight of 254.19 g/mol. Its IUPAC name is carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+).

Molecular Properties

Compound Namecarbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+)
PubChem CID91654218
Molecular FormulaC13H26FeO
Molecular Weight254.19 g/mol
Exact Mass254.13
IUPAC Namecarbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+)
SMILESC1CCCC1.O=CC1CCCC1.[CH3-].[CH3-].[Fe+2]
InChIInChI=1S/C6H10O.C5H10.2CH3.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;;;/h5-6H,1-4H2;1-5H2;2*1H3;/q;;2*-1;+2
InChIKeyOCSZAJRKHSVXGF-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+)?
The IUPAC name of carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+) (CID 91654218) is carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+).
What is the SMILES notation for carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+)?
The canonical SMILES for carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+) is C1CCCC1.O=CC1CCCC1.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+)?
The InChIKey is OCSZAJRKHSVXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C5H10.2CH3.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;;;/h5-6H,1-4H2;1-5H2;2*1H3;/q;;2*-1;+2.
What are the key properties of carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+)?
carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+) has a molecular weight of 254.19 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentane;cyclopentanecarbaldehyde;iron(2+) is sourced from PubChem (CID 91654218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).