bis(ditert-butyl(cyclopentyl)phosphane);iron

C26H54FeP2 — CID 73357432

IUPACbis(ditert-butyl(cyclopentyl)phosphane);iron
SMILESCC(C)(C)P(C1CCCC1)C(C)(C)C.CC(C)(C)P(C1CCCC1)C(C)(C)C.[Fe]
InChIInChI=1S/2C13H27P.Fe/c2*1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;/h2*11H,7-10H2,1-6H3;
InChIKeyUZYCNUZAAUDQLS-UHFFFAOYSA-N
MW484.51 g/mol
LogP10.01
Rot. Bonds2

About bis(ditert-butyl(cyclopentyl)phosphane);iron

bis(ditert-butyl(cyclopentyl)phosphane);iron (PubChem CID 73357432) has the molecular formula C26H54FeP2 and a molecular weight of 484.51 g/mol. Its IUPAC name is bis(ditert-butyl(cyclopentyl)phosphane);iron.

Molecular Properties

Compound Namebis(ditert-butyl(cyclopentyl)phosphane);iron
PubChem CID73357432
Molecular FormulaC26H54FeP2
Molecular Weight484.51 g/mol
Exact Mass484.31
IUPAC Namebis(ditert-butyl(cyclopentyl)phosphane);iron
SMILESCC(C)(C)P(C1CCCC1)C(C)(C)C.CC(C)(C)P(C1CCCC1)C(C)(C)C.[Fe]
InChIInChI=1S/2C13H27P.Fe/c2*1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;/h2*11H,7-10H2,1-6H3;
InChIKeyUZYCNUZAAUDQLS-UHFFFAOYSA-N
XLogP10.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.51
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 bis(ditert-butyl(cyclopentyl)phosphane);iron?
The IUPAC name of bis(ditert-butyl(cyclopentyl)phosphane);iron (CID 73357432) is bis(ditert-butyl(cyclopentyl)phosphane);iron.
What is the SMILES notation for bis(ditert-butyl(cyclopentyl)phosphane);iron?
The canonical SMILES for bis(ditert-butyl(cyclopentyl)phosphane);iron is CC(C)(C)P(C1CCCC1)C(C)(C)C.CC(C)(C)P(C1CCCC1)C(C)(C)C.[Fe].
What is the InChIKey of bis(ditert-butyl(cyclopentyl)phosphane);iron?
The InChIKey is UZYCNUZAAUDQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H27P.Fe/c2*1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;/h2*11H,7-10H2,1-6H3;.
What are the key properties of bis(ditert-butyl(cyclopentyl)phosphane);iron?
bis(ditert-butyl(cyclopentyl)phosphane);iron has a molecular weight of 484.51 g/mol, XLogP of 10.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ditert-butyl(cyclopentyl)phosphane);iron is sourced from PubChem (CID 73357432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).