1-cyclopenta-2,4-dien-1-ylideneethanolate;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+)

C15H16FeO3 — CID 159636847

IUPAC1-cyclopenta-2,4-dien-1-ylideneethanolate;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+)
SMILESCC([O-])=C1C=CC=C1.CCOC([O-])=C1C=CC=C1.[Fe+2]
InChIInChI=1S/C8H10O2.C7H8O.Fe/c1-2-10-8(9)7-5-3-4-6-7;1-6(8)7-4-2-3-5-7;/h3-6,9H,2H2,1H3;2-5,8H,1H3;/q;;+2/p-2
InChIKeyFMKITCNFZLFHLP-UHFFFAOYSA-L
MW300.14 g/mol
LogP1.47
Rot. Bonds2

About 1-cyclopenta-2,4-dien-1-ylideneethanolate;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+)

1-cyclopenta-2,4-dien-1-ylideneethanolate;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+) (PubChem CID 159636847) has the molecular formula C15H16FeO3 and a molecular weight of 300.14 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylideneethanolate;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+).

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylideneethanolate;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+)
PubChem CID159636847
Molecular FormulaC15H16FeO3
Molecular Weight300.14 g/mol
Exact Mass300.04
IUPAC Name1-cyclopenta-2,4-dien-1-ylideneethanolate;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+)
SMILESCC([O-])=C1C=CC=C1.CCOC([O-])=C1C=CC=C1.[Fe+2]
InChIInChI=1S/C8H10O2.C7H8O.Fe/c1-2-10-8(9)7-5-3-4-6-7;1-6(8)7-4-2-3-5-7;/h3-6,9H,2H2,1H3;2-5,8H,1H3;/q;;+2/p-2
InChIKeyFMKITCNFZLFHLP-UHFFFAOYSA-L
XLogP1.47
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

sodium cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate
CID 23697899
bis(1-cyclopenta-2,4-dien-1-ylidenepent-2-en-1-olate);iron(2+)
CID 157072709
tetrakis(cyclopenta-2,4-dien-1-ylidenemethanediolate);hafnium(4+);bis(iron(2+))
CID 178076225
ethoxy(triazol-4-ylidene)methanolate
CID 102106143
cyclopenta-1,3-diene;(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate;iron(2+)
CID 50909408
[6-(3-chloro-4-fluorophenyl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]-ethoxymethanolate
CID 2112375
5-butan-2-ylidenecyclopenta-1,3-diene
CID 162397478
cobalt(2+);bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate)
CID 157122316
(E)-ethoxy-[(15E)-15-[ethoxy(oxido)methylidene]-3,16-dimethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,5,7,9,11,13,16,18,20-decaen-4-ylidene]methanolate;iron(2+)
CID 51346239
ethyl (1Z,3Z,5Z,7Z)-2-aminocycloocta-1,3,5,7-tetraene-1-carboxylate
CID 143685503
copper(1+);1-ethoxyethenolate
CID 73187688
magnesium;ethyl acetate;dihydroxide
CID 174721509

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylideneethanolate;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+)?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylideneethanolate;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+) (CID 159636847) is 1-cyclopenta-2,4-dien-1-ylideneethanolate;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+).
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylideneethanolate;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+)?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylideneethanolate;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+) is CC([O-])=C1C=CC=C1.CCOC([O-])=C1C=CC=C1.[Fe+2].
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylideneethanolate;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+)?
The InChIKey is FMKITCNFZLFHLP-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H10O2.C7H8O.Fe/c1-2-10-8(9)7-5-3-4-6-7;1-6(8)7-4-2-3-5-7;/h3-6,9H,2H2,1H3;2-5,8H,1H3;/q;;+2/p-2.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylideneethanolate;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+)?
1-cyclopenta-2,4-dien-1-ylideneethanolate;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+) has a molecular weight of 300.14 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylideneethanolate;cyclopenta-2,4-dien-1-ylidene(ethoxy)methanolate;iron(2+) is sourced from PubChem (CID 159636847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).