cyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron

C13H15FeO3- — CID 176895077

IUPACcyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron
SMILESOCCOC(O)=C1C=CC=C1.[Fe].c1cc[cH-]c1
InChIInChI=1S/C8H10O3.C5H5.Fe/c9-5-6-11-8(10)7-3-1-2-4-7;1-2-4-5-3-1;/h1-4,9-10H,5-6H2;1-5H;/q;-1;
InChIKeyRRNIZKBMWLOWGF-UHFFFAOYSA-N
MW275.11 g/mol
LogP2.29
Rot. Bonds3

About cyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron

cyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron (PubChem CID 176895077) has the molecular formula C13H15FeO3- and a molecular weight of 275.11 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron
PubChem CID176895077
Molecular FormulaC13H15FeO3-
Molecular Weight275.11 g/mol
Exact Mass275.04
IUPAC Namecyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron
SMILESOCCOC(O)=C1C=CC=C1.[Fe].c1cc[cH-]c1
InChIInChI=1S/C8H10O3.C5H5.Fe/c9-5-6-11-8(10)7-3-1-2-4-7;1-2-4-5-3-1;/h1-4,9-10H,5-6H2;1-5H;/q;-1;
InChIKeyRRNIZKBMWLOWGF-UHFFFAOYSA-N
XLogP2.29
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene(hydrazinyl)methanolate;iron
CID 171395327
2-amino-1-cyclopenta-2,4-dien-1-ylidenetridecan-1-ol;cyclopenta-1,3-diene;iron
CID 170566479
cyclopenta-1,3-diene;(5Z)-5-[hydrazinyl(hydroxy)methylidene]cyclopenta-1,3-diene-1-carbohydrazide;iron
CID 163364348
cyclopenta-1,3-diene;cyclopenta-2,4-dien-1-ylidene-(2-sulfanylethylamino)methanolate;iron(2+)
CID 131724610
bis(cyclopenta-1,3-diene);iron;iron(2+)
CID 160503469
cyclopenta-1,3-diene;ethanol;titanium
CID 23263646
bis(cyclopenta-2,4-dien-1-ylidene(hydroxy)methanolate);iron
CID 171395328
11-bromo-1-cyclopenta-2,4-dien-1-ylideneundecan-1-olate;cyclopenta-1,3-diene;iron(2+)
CID 160872431
carbamic acid;cyclopenta-1,3-diene;cyclopentane;iron
CID 87899124
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron
CID 73169264
5-(difluoromethylidene)cyclopenta-1,3-diene
CID 13428390
cyclopenta-1,3-diene;(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxyprop-1-en-1-olate;iron(2+)
CID 50909408

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron?
The IUPAC name of cyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron (CID 176895077) is cyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron.
What is the SMILES notation for cyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron?
The canonical SMILES for cyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron is OCCOC(O)=C1C=CC=C1.[Fe].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron?
The InChIKey is RRNIZKBMWLOWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3.C5H5.Fe/c9-5-6-11-8(10)7-3-1-2-4-7;1-2-4-5-3-1;/h1-4,9-10H,5-6H2;1-5H;/q;-1;.
What are the key properties of cyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron?
cyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron has a molecular weight of 275.11 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methoxy]ethanol;iron is sourced from PubChem (CID 176895077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).