carbon monoxide;iron;(5E,7E)-4-oxonona-5,7-dienal

C12H12FeO5 — CID 10913325

IUPACcarbon monoxide;iron;(5E,7E)-4-oxonona-5,7-dienal
SMILESC/C=C/C=C/C(=O)CCC=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C9H12O2.3CO.Fe/c1-2-3-4-6-9(11)7-5-8-10;3*1-2;/h2-4,6,8H,5,7H2,1H3;;;;/b3-2+,6-4+;;;;
InChIKeyLCPOTXJETGJCAI-GOUGORKLSA-N
MW292.07 g/mol
LogP1.55
Rot. Bonds5

About carbon monoxide;iron;(5E,7E)-4-oxonona-5,7-dienal

carbon monoxide;iron;(5E,7E)-4-oxonona-5,7-dienal (PubChem CID 10913325) has the molecular formula C12H12FeO5 and a molecular weight of 292.07 g/mol. Its IUPAC name is carbon monoxide;iron;(5E,7E)-4-oxonona-5,7-dienal.

Molecular Properties

Compound Namecarbon monoxide;iron;(5E,7E)-4-oxonona-5,7-dienal
PubChem CID10913325
Molecular FormulaC12H12FeO5
Molecular Weight292.07 g/mol
Exact Mass292.00
IUPAC Namecarbon monoxide;iron;(5E,7E)-4-oxonona-5,7-dienal
SMILESC/C=C/C=C/C(=O)CCC=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C9H12O2.3CO.Fe/c1-2-3-4-6-9(11)7-5-8-10;3*1-2;/h2-4,6,8H,5,7H2,1H3;;;;/b3-2+,6-4+;;;;
InChIKeyLCPOTXJETGJCAI-GOUGORKLSA-N
XLogP1.55
TPSA93.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.07
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-5-oxooct-6-enal
CID 14790918
dodeca-2,4-dien-6-one
CID 71412707
octadeca-2,4,6-trien-8-one
CID 154172928
(2E,6E,8E,10E)-5-oxododeca-2,6,8,10-tetraenal
CID 164671294
(E)-7-(dimethylamino)-4-oxohept-5-enal
CID 171529759
3-hydroxy-5-oxodeca-6,8-dienoic acid
CID 152518855
(3E,5E)-2-oxohepta-3,5-dienal
CID 89374999
(4Z,6E)-octa-4,6-dienal
CID 58249814
6-cyclopropyl-4-oxohex-5-enal
CID 123628239
(2E,8E,10E)-N-(2-methylprop-1-enyl)-7-oxododeca-2,8,10-trienamide
CID 176792798
(3Z)-hepta-3,5-dien-2-one
CID 123850748
(3Z,5E)-hepta-3,5-dien-2-one
CID 12524557

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;iron;(5E,7E)-4-oxonona-5,7-dienal?
The IUPAC name of carbon monoxide;iron;(5E,7E)-4-oxonona-5,7-dienal (CID 10913325) is carbon monoxide;iron;(5E,7E)-4-oxonona-5,7-dienal.
What is the SMILES notation for carbon monoxide;iron;(5E,7E)-4-oxonona-5,7-dienal?
The canonical SMILES for carbon monoxide;iron;(5E,7E)-4-oxonona-5,7-dienal is C/C=C/C=C/C(=O)CCC=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].
What is the InChIKey of carbon monoxide;iron;(5E,7E)-4-oxonona-5,7-dienal?
The InChIKey is LCPOTXJETGJCAI-GOUGORKLSA-N. The full InChI is InChI=1S/C9H12O2.3CO.Fe/c1-2-3-4-6-9(11)7-5-8-10;3*1-2;/h2-4,6,8H,5,7H2,1H3;;;;/b3-2+,6-4+;;;;.
What are the key properties of carbon monoxide;iron;(5E,7E)-4-oxonona-5,7-dienal?
carbon monoxide;iron;(5E,7E)-4-oxonona-5,7-dienal has a molecular weight of 292.07 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;iron;(5E,7E)-4-oxonona-5,7-dienal is sourced from PubChem (CID 10913325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).