cyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol

C14H18FeO — CID 146026361

IUPACcyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol
SMILESCCCc1ccc[c-]1CO.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C9H13O.C5H5.Fe/c1-2-4-8-5-3-6-9(8)7-10;1-2-4-5-3-1;/h3,5-6,10H,2,4,7H2,1H3;1-5H;/q2*-1;+2
InChIKeyKHPZQXJOUJOKAM-UHFFFAOYSA-N
MW258.14 g/mol
LogP3.25
Rot. Bonds3

About cyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol

cyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol (PubChem CID 146026361) has the molecular formula C14H18FeO and a molecular weight of 258.14 g/mol. Its IUPAC name is cyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Namecyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol
PubChem CID146026361
Molecular FormulaC14H18FeO
Molecular Weight258.14 g/mol
Exact Mass258.07
IUPAC Namecyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol
SMILESCCCc1ccc[c-]1CO.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C9H13O.C5H5.Fe/c1-2-4-8-5-3-6-9(8)7-10;1-2-4-5-3-1;/h3,5-6,10H,2,4,7H2,1H3;1-5H;/q2*-1;+2
InChIKeyKHPZQXJOUJOKAM-UHFFFAOYSA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 53.25
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

bis(cyclopenta-1,3-diene);bis([2-(hydroxymethyl)cyclopenta-2,4-dien-1-yl]methanol);bis(iron(2+))
CID 170692910
1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 153281106
cyclopenta-1,3-diene;2-(5-dimethylsilylcyclopenta-1,3-dien-1-yl)ethanol;zirconium(4+);dichloride
CID 157111889
1-[5-(2-aminoethyl)cyclopenta-1,3-dien-1-yl]ethanone;cyclopenta-1,3-diene;iron(2+)
CID 164897890
cyclopenta-1,3-diene;iron(2+);1,2,5-triethylcyclopenta-1,3-diene
CID 162248529
cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+)
CID 15776323
1-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 15818168
cyclopentane;1,5-diethylcyclopenta-1,3-diene;manganese
CID 175107050
bis(cyclopenta-1,3-diene);bis(pentan-1-ol);titanium(2+)
CID 174299170
cyclopenta-1,3-diene;cyclopentane;iron;1-methyl-5-[1-(2-methylcyclopenta-2,4-dien-1-yl)propyl]cyclopenta-1,3-diene
CID 174912786
cyclopenta-1,3-diene;(2,3-diphenylcyclopenta-2,4-dien-1-yl)phosphane;iron(2+)
CID 140891390
1,5-bis(but-1-enyl)cyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 169087262

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol?
The IUPAC name of cyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol (CID 146026361) is cyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol.
What is the SMILES notation for cyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol?
The canonical SMILES for cyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol is CCCc1ccc[c-]1CO.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol?
The InChIKey is KHPZQXJOUJOKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O.C5H5.Fe/c1-2-4-8-5-3-6-9(8)7-10;1-2-4-5-3-1;/h3,5-6,10H,2,4,7H2,1H3;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol?
cyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol has a molecular weight of 258.14 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;iron(2+);(2-propylcyclopenta-2,4-dien-1-yl)methanol is sourced from PubChem (CID 146026361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).