cyclopenta-1,3-diene;2-(3-cyclopenta-1,3-dien-1-ylpropoxy)ethoxy-N,N-di(propan-2-yl)phosphonamidous acid;iron(2+)

C21H34FeNO3P — CID 175689197

IUPACcyclopenta-1,3-diene;2-(3-cyclopenta-1,3-dien-1-ylpropoxy)ethoxy-N,N-di(propan-2-yl)phosphonamidous acid;iron(2+)
SMILESCC(C)N(C(C)C)P(O)OCCOCCCc1ccc[cH-]1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C16H29NO3P.C5H5.Fe/c1-14(2)17(15(3)4)21(18)20-13-12-19-11-7-10-16-8-5-6-9-16;1-2-4-5-3-1;/h5-6,8-9,14-15,18H,7,10-13H2,1-4H3;1-5H;/q2*-1;+2
InChIKeyLMMOOAABXRJODW-UHFFFAOYSA-N
MW435.33 g/mol
LogP5.11
Rot. Bonds11

About cyclopenta-1,3-diene;2-(3-cyclopenta-1,3-dien-1-ylpropoxy)ethoxy-N,N-di(propan-2-yl)phosphonamidous acid;iron(2+)

cyclopenta-1,3-diene;2-(3-cyclopenta-1,3-dien-1-ylpropoxy)ethoxy-N,N-di(propan-2-yl)phosphonamidous acid;iron(2+) (PubChem CID 175689197) has the molecular formula C21H34FeNO3P and a molecular weight of 435.33 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-(3-cyclopenta-1,3-dien-1-ylpropoxy)ethoxy-N,N-di(propan-2-yl)phosphonamidous acid;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-(3-cyclopenta-1,3-dien-1-ylpropoxy)ethoxy-N,N-di(propan-2-yl)phosphonamidous acid;iron(2+)
PubChem CID175689197
Molecular FormulaC21H34FeNO3P
Molecular Weight435.33 g/mol
Exact Mass435.16
IUPAC Namecyclopenta-1,3-diene;2-(3-cyclopenta-1,3-dien-1-ylpropoxy)ethoxy-N,N-di(propan-2-yl)phosphonamidous acid;iron(2+)
SMILESCC(C)N(C(C)C)P(O)OCCOCCCc1ccc[cH-]1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C16H29NO3P.C5H5.Fe/c1-14(2)17(15(3)4)21(18)20-13-12-19-11-7-10-16-8-5-6-9-16;1-2-4-5-3-1;/h5-6,8-9,14-15,18H,7,10-13H2,1-4H3;1-5H;/q2*-1;+2
InChIKeyLMMOOAABXRJODW-UHFFFAOYSA-N
XLogP5.11
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.33
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethanol;iron
CID 73169264
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+)
CID 157273131
2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;bis([2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-diphenylmethyl]benzene)
CID 87415692
bis(1-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene);titanium(2+)
CID 175026738
bis(3-cyclopenta-1,3-dien-1-ylpropyl(diphenyl)phosphane);iron(2+)
CID 159314946
cyclopenta-1,3-diene;2-(cyclopenta-1,3-dien-1-ylmethyl)prop-2-enal;iron(2+)
CID 140706938
3-dimethoxyphosphorylpropoxy-N,N-di(propan-2-yl)phosphonamidous acid
CID 155355291
acetylene;2-cyanoethoxy-N,N-di(propan-2-yl)phosphonamidous acid;ethane
CID 170710647
3-iminopropoxy-N,N-di(propan-2-yl)phosphonamidous acid
CID 88915022
lithium;bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dihydrobromide
CID 172837312
cyclopenta-1,3-diene;iron(2+);N-propan-2-ylcyclopenta-1,3-dien-1-amine
CID 172826783
carbanide;cyclopenta-1,3-diene;N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide;ethane;iron(4+);methane
CID 135078041

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-(3-cyclopenta-1,3-dien-1-ylpropoxy)ethoxy-N,N-di(propan-2-yl)phosphonamidous acid;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;2-(3-cyclopenta-1,3-dien-1-ylpropoxy)ethoxy-N,N-di(propan-2-yl)phosphonamidous acid;iron(2+) (CID 175689197) is cyclopenta-1,3-diene;2-(3-cyclopenta-1,3-dien-1-ylpropoxy)ethoxy-N,N-di(propan-2-yl)phosphonamidous acid;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;2-(3-cyclopenta-1,3-dien-1-ylpropoxy)ethoxy-N,N-di(propan-2-yl)phosphonamidous acid;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;2-(3-cyclopenta-1,3-dien-1-ylpropoxy)ethoxy-N,N-di(propan-2-yl)phosphonamidous acid;iron(2+) is CC(C)N(C(C)C)P(O)OCCOCCCc1ccc[cH-]1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;2-(3-cyclopenta-1,3-dien-1-ylpropoxy)ethoxy-N,N-di(propan-2-yl)phosphonamidous acid;iron(2+)?
The InChIKey is LMMOOAABXRJODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3P.C5H5.Fe/c1-14(2)17(15(3)4)21(18)20-13-12-19-11-7-10-16-8-5-6-9-16;1-2-4-5-3-1;/h5-6,8-9,14-15,18H,7,10-13H2,1-4H3;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;2-(3-cyclopenta-1,3-dien-1-ylpropoxy)ethoxy-N,N-di(propan-2-yl)phosphonamidous acid;iron(2+)?
cyclopenta-1,3-diene;2-(3-cyclopenta-1,3-dien-1-ylpropoxy)ethoxy-N,N-di(propan-2-yl)phosphonamidous acid;iron(2+) has a molecular weight of 435.33 g/mol, XLogP of 5.11, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-(3-cyclopenta-1,3-dien-1-ylpropoxy)ethoxy-N,N-di(propan-2-yl)phosphonamidous acid;iron(2+) is sourced from PubChem (CID 175689197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).