bis(dicyclohexyl(cyclopentyl)phosphane);iron

C34H62FeP2 — CID 44558250

IUPACbis(dicyclohexyl(cyclopentyl)phosphane);iron
SMILESC1CCC(P(C2CCCCC2)C2CCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCC2)CC1.[Fe]
InChIInChI=1S/2C17H31P.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h2*15-17H,1-14H2;
InChIKeyIWYLGIFVMPKVOA-UHFFFAOYSA-N
MW588.66 g/mol
LogP12.15
Rot. Bonds6

About bis(dicyclohexyl(cyclopentyl)phosphane);iron

bis(dicyclohexyl(cyclopentyl)phosphane);iron (PubChem CID 44558250) has the molecular formula C34H62FeP2 and a molecular weight of 588.66 g/mol. Its IUPAC name is bis(dicyclohexyl(cyclopentyl)phosphane);iron.

Molecular Properties

Compound Namebis(dicyclohexyl(cyclopentyl)phosphane);iron
PubChem CID44558250
Molecular FormulaC34H62FeP2
Molecular Weight588.66 g/mol
Exact Mass588.37
IUPAC Namebis(dicyclohexyl(cyclopentyl)phosphane);iron
SMILESC1CCC(P(C2CCCCC2)C2CCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCC2)CC1.[Fe]
InChIInChI=1S/2C17H31P.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h2*15-17H,1-14H2;
InChIKeyIWYLGIFVMPKVOA-UHFFFAOYSA-N
XLogP12.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.66
LogP ≤ 512.15
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(dicyclohexyl(cyclopentyl)phosphane);iron?
The IUPAC name of bis(dicyclohexyl(cyclopentyl)phosphane);iron (CID 44558250) is bis(dicyclohexyl(cyclopentyl)phosphane);iron.
What is the SMILES notation for bis(dicyclohexyl(cyclopentyl)phosphane);iron?
The canonical SMILES for bis(dicyclohexyl(cyclopentyl)phosphane);iron is C1CCC(P(C2CCCCC2)C2CCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCC2)CC1.[Fe].
What is the InChIKey of bis(dicyclohexyl(cyclopentyl)phosphane);iron?
The InChIKey is IWYLGIFVMPKVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H31P.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h2*15-17H,1-14H2;.
What are the key properties of bis(dicyclohexyl(cyclopentyl)phosphane);iron?
bis(dicyclohexyl(cyclopentyl)phosphane);iron has a molecular weight of 588.66 g/mol, XLogP of 12.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dicyclohexyl(cyclopentyl)phosphane);iron is sourced from PubChem (CID 44558250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).