cyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron

C26H46FeOP2 — CID 155884987

IUPACcyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron
SMILESC1CCCC1.C[C@H](C1CCCC1[P@H](=O)c1ccccc1)P(C(C)(C)C)C(C)(C)C.[Fe]
InChIInChI=1S/C21H36OP2.C5H10.Fe/c1-16(24(20(2,3)4)21(5,6)7)18-14-11-15-19(18)23(22)17-12-9-8-10-13-17;1-2-4-5-3-1;/h8-10,12-13,16,18-19,23H,11,14-15H2,1-7H3;1-5H2;/t16-,18?,19?;;/m1../s1
InChIKeyHSJCEAMBOJRPRD-CNSRXUDHSA-N
MW492.45 g/mol
LogP8.46
Rot. Bonds4

About cyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron

cyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron (PubChem CID 155884987) has the molecular formula C26H46FeOP2 and a molecular weight of 492.45 g/mol. Its IUPAC name is cyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron.

Molecular Properties

Compound Namecyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron
PubChem CID155884987
Molecular FormulaC26H46FeOP2
Molecular Weight492.45 g/mol
Exact Mass492.24
IUPAC Namecyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron
SMILESC1CCCC1.C[C@H](C1CCCC1[P@H](=O)c1ccccc1)P(C(C)(C)C)C(C)(C)C.[Fe]
InChIInChI=1S/C21H36OP2.C5H10.Fe/c1-16(24(20(2,3)4)21(5,6)7)18-14-11-15-19(18)23(22)17-12-9-8-10-13-17;1-2-4-5-3-1;/h8-10,12-13,16,18-19,23H,11,14-15H2,1-7H3;1-5H2;/t16-,18?,19?;;/m1../s1
InChIKeyHSJCEAMBOJRPRD-CNSRXUDHSA-N
XLogP8.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.45
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclopentane;ditert-butyl-[1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 91663083
[(1S)-1-(2-tert-butylphosphonoylcyclopentyl)ethyl]-diphenylphosphane
CID 155884992
cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117061916
cyclopentane;ditert-butyl-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117064299
[(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron
CID 162302601
1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane;cyclopentane;iron
CID 162287013
cyclopentane;ditert-butyl-[(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117064270
1-[2-(1-diphenylphosphanylethyl)cyclopentyl]ethyl-diphenylphosphane
CID 23403232
ditert-butyl-[1-[(1R)-2-dicyclohexylphosphanylcyclopentyl]ethyl]phosphane
CID 137018906
1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane
CID 123791753
1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane
CID 76689541
tert-butyl-[2-[(1S)-1-ditert-butylphosphanylethyl]cyclopentyl]-hydroxyphosphanium
CID 58470957

Frequently Asked Questions

What is the IUPAC name of cyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron?
The IUPAC name of cyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron (CID 155884987) is cyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron.
What is the SMILES notation for cyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron?
The canonical SMILES for cyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron is C1CCCC1.C[C@H](C1CCCC1[P@H](=O)c1ccccc1)P(C(C)(C)C)C(C)(C)C.[Fe].
What is the InChIKey of cyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron?
The InChIKey is HSJCEAMBOJRPRD-CNSRXUDHSA-N. The full InChI is InChI=1S/C21H36OP2.C5H10.Fe/c1-16(24(20(2,3)4)21(5,6)7)18-14-11-15-19(18)23(22)17-12-9-8-10-13-17;1-2-4-5-3-1;/h8-10,12-13,16,18-19,23H,11,14-15H2,1-7H3;1-5H2;/t16-,18?,19?;;/m1../s1.
What are the key properties of cyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron?
cyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron has a molecular weight of 492.45 g/mol, XLogP of 8.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron is sourced from PubChem (CID 155884987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).