bis(cyclopenta-1,3-diene);iron(2+);methanol

C11H14FeO — CID 175123773

IUPACbis(cyclopenta-1,3-diene);iron(2+);methanol
SMILESCO.[C-]1=CC=CC1.[C-]1=CC=CC1.[Fe+2]
InChIInChI=1S/2C5H5.CH4O.Fe/c2*1-2-4-5-3-1;1-2;/h2*1-3H,4H2;2H,1H3;/q2*-1;;+2
InChIKeyARAZSNPAYHIGPF-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.22
Rot. Bonds

About bis(cyclopenta-1,3-diene);iron(2+);methanol

bis(cyclopenta-1,3-diene);iron(2+);methanol (PubChem CID 175123773) has the molecular formula C11H14FeO and a molecular weight of 218.08 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);iron(2+);methanol.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);iron(2+);methanol
PubChem CID175123773
Molecular FormulaC11H14FeO
Molecular Weight218.08 g/mol
Exact Mass218.04
IUPAC Namebis(cyclopenta-1,3-diene);iron(2+);methanol
SMILESCO.[C-]1=CC=CC1.[C-]1=CC=CC1.[Fe+2]
InChIInChI=1S/2C5H5.CH4O.Fe/c2*1-2-4-5-3-1;1-2;/h2*1-3H,4H2;2H,1H3;/q2*-1;;+2
InChIKeyARAZSNPAYHIGPF-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 bis(cyclopenta-1,3-diene);iron(2+);methanol?
The IUPAC name of bis(cyclopenta-1,3-diene);iron(2+);methanol (CID 175123773) is bis(cyclopenta-1,3-diene);iron(2+);methanol.
What is the SMILES notation for bis(cyclopenta-1,3-diene);iron(2+);methanol?
The canonical SMILES for bis(cyclopenta-1,3-diene);iron(2+);methanol is CO.[C-]1=CC=CC1.[C-]1=CC=CC1.[Fe+2].
What is the InChIKey of bis(cyclopenta-1,3-diene);iron(2+);methanol?
The InChIKey is ARAZSNPAYHIGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.CH4O.Fe/c2*1-2-4-5-3-1;1-2;/h2*1-3H,4H2;2H,1H3;/q2*-1;;+2.
What are the key properties of bis(cyclopenta-1,3-diene);iron(2+);methanol?
bis(cyclopenta-1,3-diene);iron(2+);methanol has a molecular weight of 218.08 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);iron(2+);methanol is sourced from PubChem (CID 175123773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).