cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron

C12H14FeO-2 — CID 73169264

IUPACcyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron
SMILESOCCc1ccc[cH-]1.[Fe].c1cc[cH-]c1
InChIInChI=1S/C7H9O.C5H5.Fe/c8-6-5-7-3-1-2-4-7;1-2-4-5-3-1;/h1-4,8H,5-6H2;1-5H;/q2*-1;
InChIKeyBOZRCRIPXMZNKI-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.34
Rot. Bonds2

About cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron

cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron (PubChem CID 73169264) has the molecular formula C12H14FeO-2 and a molecular weight of 230.09 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron
PubChem CID73169264
Molecular FormulaC12H14FeO-2
Molecular Weight230.09 g/mol
Exact Mass230.04
IUPAC Namecyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron
SMILESOCCc1ccc[cH-]1.[Fe].c1cc[cH-]c1
InChIInChI=1S/C7H9O.C5H5.Fe/c8-6-5-7-3-1-2-4-7;1-2-4-5-3-1;/h1-4,8H,5-6H2;1-5H;/q2*-1;
InChIKeyBOZRCRIPXMZNKI-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.34
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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Related Compounds

2-cyclopenta-1,3-dien-1-ylethanol;methanol;oxoniobium
CID 155656379
1-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 15818168
1-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;zirconium(2+)
CID 160781106
cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutane-1-thiol;iron(2+)
CID 158425744
cyclopenta-1,3-diene;4-cyclopenta-1,3-dien-1-ylbutanoyl chloride;iron(2+)
CID 175736486
6-[bis(cyclopenta-1,3-dien-1-ylmethyl)amino]hexan-1-ol;bis(cyclopenta-1,3-diene);bis(iron(2+))
CID 131740901
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+)
CID 157273131
cyclopenta-1,3-diene;2-(cyclopenta-1,3-dien-1-ylmethyl)prop-2-enal;iron(2+)
CID 140706938
1-bromocyclopenta-1,3-diene;cyclopenta-1,3-diene;iron
CID 57369550
bis(1-butylcyclopenta-1,3-diene);titanium(2+)
CID 159034563
carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene
CID 158519657
1-butylcyclopenta-1,3-diene;hafnium;dichloride
CID 158111562

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron?
The IUPAC name of cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron (CID 73169264) is cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron.
What is the SMILES notation for cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron?
The canonical SMILES for cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron is OCCc1ccc[cH-]1.[Fe].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron?
The InChIKey is BOZRCRIPXMZNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O.C5H5.Fe/c8-6-5-7-3-1-2-4-7;1-2-4-5-3-1;/h1-4,8H,5-6H2;1-5H;/q2*-1;.
What are the key properties of cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron?
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron has a molecular weight of 230.09 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron is sourced from PubChem (CID 73169264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).