cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron

C32H50FeP2 — CID 117061916

IUPACcyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
SMILESC1CCCC1.C[C@@H](C1CCCC1P(c1ccccc1)c1ccccc1)P(C(C)(C)C)C(C)(C)C.[Fe]
InChIInChI=1S/C27H40P2.C5H10.Fe/c1-21(29(26(2,3)4)27(5,6)7)24-19-14-20-25(24)28(22-15-10-8-11-16-22)23-17-12-9-13-18-23;1-2-4-5-3-1;/h8-13,15-18,21,24-25H,14,19-20H2,1-7H3;1-5H2;/t21-,24?,25?;;/m0../s1
InChIKeyKEERMMZARKKVBY-IPMISBIPSA-N
MW552.55 g/mol
LogP9.70
Rot. Bonds5

About cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron

cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron (PubChem CID 117061916) has the molecular formula C32H50FeP2 and a molecular weight of 552.55 g/mol. Its IUPAC name is cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron.

Molecular Properties

Compound Namecyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
PubChem CID117061916
Molecular FormulaC32H50FeP2
Molecular Weight552.55 g/mol
Exact Mass552.27
IUPAC Namecyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
SMILESC1CCCC1.C[C@@H](C1CCCC1P(c1ccccc1)c1ccccc1)P(C(C)(C)C)C(C)(C)C.[Fe]
InChIInChI=1S/C27H40P2.C5H10.Fe/c1-21(29(26(2,3)4)27(5,6)7)24-19-14-20-25(24)28(22-15-10-8-11-16-22)23-17-12-9-13-18-23;1-2-4-5-3-1;/h8-13,15-18,21,24-25H,14,19-20H2,1-7H3;1-5H2;/t21-,24?,25?;;/m0../s1
InChIKeyKEERMMZARKKVBY-IPMISBIPSA-N
XLogP9.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.55
LogP ≤ 59.70
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 cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron?
The IUPAC name of cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron (CID 117061916) is cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron.
What is the SMILES notation for cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron?
The canonical SMILES for cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron is C1CCCC1.C[C@@H](C1CCCC1P(c1ccccc1)c1ccccc1)P(C(C)(C)C)C(C)(C)C.[Fe].
What is the InChIKey of cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron?
The InChIKey is KEERMMZARKKVBY-IPMISBIPSA-N. The full InChI is InChI=1S/C27H40P2.C5H10.Fe/c1-21(29(26(2,3)4)27(5,6)7)24-19-14-20-25(24)28(22-15-10-8-11-16-22)23-17-12-9-13-18-23;1-2-4-5-3-1;/h8-13,15-18,21,24-25H,14,19-20H2,1-7H3;1-5H2;/t21-,24?,25?;;/m0../s1.
What are the key properties of cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron?
cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron has a molecular weight of 552.55 g/mol, XLogP of 9.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron is sourced from PubChem (CID 117061916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).