bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron

C22H42FeP2 — CID 155884997

IUPACbis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron
SMILESC[C@H]1CC[C@H](C)P1C1CCCC1.C[C@H]1CC[C@H](C)P1C1CCCC1.[Fe]
InChIInChI=1S/2C11H21P.Fe/c2*1-9-7-8-10(2)12(9)11-5-3-4-6-11;/h2*9-11H,3-8H2,1-2H3;/t2*9-,10-;/m00./s1
InChIKeyHMCOBQFHUYMJEN-VUTIHBPYSA-N
MW424.37 g/mol
LogP7.96
Rot. Bonds2

About bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron

bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron (PubChem CID 155884997) has the molecular formula C22H42FeP2 and a molecular weight of 424.37 g/mol. Its IUPAC name is bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron.

Molecular Properties

Compound Namebis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron
PubChem CID155884997
Molecular FormulaC22H42FeP2
Molecular Weight424.37 g/mol
Exact Mass424.21
IUPAC Namebis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron
SMILESC[C@H]1CC[C@H](C)P1C1CCCC1.C[C@H]1CC[C@H](C)P1C1CCCC1.[Fe]
InChIInChI=1S/2C11H21P.Fe/c2*1-9-7-8-10(2)12(9)11-5-3-4-6-11;/h2*9-11H,3-8H2,1-2H3;/t2*9-,10-;/m00./s1
InChIKeyHMCOBQFHUYMJEN-VUTIHBPYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.37
LogP ≤ 57.96
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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Related Compounds

(2S,4S)-1-cyclopentyl-2,4-dimethylphosphetane
CID 123179204
(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopentyl]-2,5-dimethylphospholane
CID 139306014
1-cyclopentyl-2,5-diethylphospholane
CID 91984020
2-ethyl-8-methyl-1-(3-methylcyclohexyl)phosphocane
CID 145220822
(2R,5R)-1,2,5-tricyclohexylphospholane
CID 101395115
(2S,5S)-2,5-dimethyl-1-[(1R)-2-[(2S)-2-methylphospholan-1-yl]cyclopentyl]phospholane
CID 171560754
9-methyl-9-phosphabicyclo[3.3.1]nonane
CID 18343626
methylcyclopentane
CID 7296
2-chloro-1-cyclohexyl-3,4-dimethylphospholane;gold
CID 71340250
(1Z,5Z)-cycloocta-1,5-diene;bis(1-cyclopentyl-2,5-di(propan-2-yl)phospholane);iron;rhodium;trifluoroborane;fluoride
CID 155885072
1-[2-(2,5-dimethylphospholan-1-yl)ethyl]-2,5-dimethylphospholane
CID 20643197
9-fluoro-9-phosphabicyclo[4.2.1]nonane
CID 89001054

Frequently Asked Questions

What is the IUPAC name of bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron?
The IUPAC name of bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron (CID 155884997) is bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron.
What is the SMILES notation for bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron?
The canonical SMILES for bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron is C[C@H]1CC[C@H](C)P1C1CCCC1.C[C@H]1CC[C@H](C)P1C1CCCC1.[Fe].
What is the InChIKey of bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron?
The InChIKey is HMCOBQFHUYMJEN-VUTIHBPYSA-N. The full InChI is InChI=1S/2C11H21P.Fe/c2*1-9-7-8-10(2)12(9)11-5-3-4-6-11;/h2*9-11H,3-8H2,1-2H3;/t2*9-,10-;/m00./s1.
What are the key properties of bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron?
bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron has a molecular weight of 424.37 g/mol, XLogP of 7.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2S,5S)-1-cyclopentyl-2,5-dimethylphospholane);iron is sourced from PubChem (CID 155884997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).