cyclopenta-1,3-diene;dibutyl(cyclopenta-1,3-dien-1-yl)phosphane;iron(2+)

C18H27FeP — CID 160916773

IUPACcyclopenta-1,3-diene;dibutyl(cyclopenta-1,3-dien-1-yl)phosphane;iron(2+)
SMILESCCCCP(CCCC)c1ccc[cH-]1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C13H22P.C5H5.Fe/c1-3-5-11-14(12-6-4-2)13-9-7-8-10-13;1-2-4-5-3-1;/h7-10H,3-6,11-12H2,1-2H3;1-5H;/q2*-1;+2
InChIKeySRMQLRVDDVQRFE-UHFFFAOYSA-N
MW330.23 g/mol
LogP5.52
Rot. Bonds7

About cyclopenta-1,3-diene;dibutyl(cyclopenta-1,3-dien-1-yl)phosphane;iron(2+)

cyclopenta-1,3-diene;dibutyl(cyclopenta-1,3-dien-1-yl)phosphane;iron(2+) (PubChem CID 160916773) has the molecular formula C18H27FeP and a molecular weight of 330.23 g/mol. Its IUPAC name is cyclopenta-1,3-diene;dibutyl(cyclopenta-1,3-dien-1-yl)phosphane;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;dibutyl(cyclopenta-1,3-dien-1-yl)phosphane;iron(2+)
PubChem CID160916773
Molecular FormulaC18H27FeP
Molecular Weight330.23 g/mol
Exact Mass330.12
IUPAC Namecyclopenta-1,3-diene;dibutyl(cyclopenta-1,3-dien-1-yl)phosphane;iron(2+)
SMILESCCCCP(CCCC)c1ccc[cH-]1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C13H22P.C5H5.Fe/c1-3-5-11-14(12-6-4-2)13-9-7-8-10-13;1-2-4-5-3-1;/h7-10H,3-6,11-12H2,1-2H3;1-5H;/q2*-1;+2
InChIKeySRMQLRVDDVQRFE-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.23
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 15818168
N-butylcyclopenta-1,3-dien-1-amine;cyclopenta-1,3-diene;iron(2+)
CID 159037624
1-butylcyclopenta-1,3-diene;cyclopenta-1,3-diene;zirconium(2+)
CID 160781106
cyclopenta-1,3-diene;iron(2+);1-(2-methylbutan-2-yl)cyclopenta-1,3-diene
CID 75059444
azane;cyclopenta-1,3-diene;cyclopenta-1,3-dien-1-yl(diphenyl)phosphane;iron(2+)
CID 175727216
bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+)
CID 21096598
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+)
CID 157273131
bis(cyclopenta-1,3-diene);4,4-di(cyclopenta-1,3-dien-1-yl)pentan-1-ol;bis(iron(2+))
CID 158839319
cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene
CID 158473034
bis(1-butylcyclopenta-1,3-diene);titanium(2+)
CID 159034563
1-butyl-5-decylcyclopenta-1,3-diene;cyclopenta-1,3-diene;iron(2+)
CID 153281106
1-butylcyclopenta-1,3-diene;hafnium;dichloride
CID 158111562

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;dibutyl(cyclopenta-1,3-dien-1-yl)phosphane;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;dibutyl(cyclopenta-1,3-dien-1-yl)phosphane;iron(2+) (CID 160916773) is cyclopenta-1,3-diene;dibutyl(cyclopenta-1,3-dien-1-yl)phosphane;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;dibutyl(cyclopenta-1,3-dien-1-yl)phosphane;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;dibutyl(cyclopenta-1,3-dien-1-yl)phosphane;iron(2+) is CCCCP(CCCC)c1ccc[cH-]1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;dibutyl(cyclopenta-1,3-dien-1-yl)phosphane;iron(2+)?
The InChIKey is SRMQLRVDDVQRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22P.C5H5.Fe/c1-3-5-11-14(12-6-4-2)13-9-7-8-10-13;1-2-4-5-3-1;/h7-10H,3-6,11-12H2,1-2H3;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;dibutyl(cyclopenta-1,3-dien-1-yl)phosphane;iron(2+)?
cyclopenta-1,3-diene;dibutyl(cyclopenta-1,3-dien-1-yl)phosphane;iron(2+) has a molecular weight of 330.23 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;dibutyl(cyclopenta-1,3-dien-1-yl)phosphane;iron(2+) is sourced from PubChem (CID 160916773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).