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

C14H21FeP — CID 175965694

IUPACtert-butylphosphane;bis(cyclopenta-1,3-diene);iron(2+)
SMILESCC(C)(C)P.[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.C4H11P.Fe/c2*1-2-4-5-3-1;1-4(2,3)5;/h2*1-5H;5H2,1-3H3;/q2*-1;;+2
InChIKeyLLDRKOGMHMRXGE-UHFFFAOYSA-N
MW276.14 g/mol
LogP4.47
Rot. Bonds

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

tert-butylphosphane;bis(cyclopenta-1,3-diene);iron(2+) (PubChem CID 175965694) has the molecular formula C14H21FeP and a molecular weight of 276.14 g/mol. Its IUPAC name is tert-butylphosphane;bis(cyclopenta-1,3-diene);iron(2+).

Molecular Properties

Compound Nametert-butylphosphane;bis(cyclopenta-1,3-diene);iron(2+)
PubChem CID175965694
Molecular FormulaC14H21FeP
Molecular Weight276.14 g/mol
Exact Mass276.07
IUPAC Nametert-butylphosphane;bis(cyclopenta-1,3-diene);iron(2+)
SMILESCC(C)(C)P.[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.C4H11P.Fe/c2*1-2-4-5-3-1;1-4(2,3)5;/h2*1-5H;5H2,1-3H3;/q2*-1;;+2
InChIKeyLLDRKOGMHMRXGE-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 54.47
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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Frequently Asked Questions

What is the IUPAC name of tert-butylphosphane;bis(cyclopenta-1,3-diene);iron(2+)?
The IUPAC name of tert-butylphosphane;bis(cyclopenta-1,3-diene);iron(2+) (CID 175965694) is tert-butylphosphane;bis(cyclopenta-1,3-diene);iron(2+).
What is the SMILES notation for tert-butylphosphane;bis(cyclopenta-1,3-diene);iron(2+)?
The canonical SMILES for tert-butylphosphane;bis(cyclopenta-1,3-diene);iron(2+) is CC(C)(C)P.[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of tert-butylphosphane;bis(cyclopenta-1,3-diene);iron(2+)?
The InChIKey is LLDRKOGMHMRXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.C4H11P.Fe/c2*1-2-4-5-3-1;1-4(2,3)5;/h2*1-5H;5H2,1-3H3;/q2*-1;;+2.
What are the key properties of tert-butylphosphane;bis(cyclopenta-1,3-diene);iron(2+)?
tert-butylphosphane;bis(cyclopenta-1,3-diene);iron(2+) has a molecular weight of 276.14 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylphosphane;bis(cyclopenta-1,3-diene);iron(2+) is sourced from PubChem (CID 175965694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).