1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane

C25H35FeOP — CID 159987676

IUPAC1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane
SMILESCC(O)C1CCCC1P(c1ccccc1)c1ccccc1.CC1CCCC1.[Fe]
InChIInChI=1S/C19H23OP.C6H12.Fe/c1-15(20)18-13-8-14-19(18)21(16-9-4-2-5-10-16)17-11-6-3-7-12-17;1-6-4-2-3-5-6;/h2-7,9-12,15,18-20H,8,13-14H2,1H3;6H,2-5H2,1H3;
InChIKeyOGNUHKVCSWMZLC-UHFFFAOYSA-N
MW438.37 g/mol
LogP5.86
Rot. Bonds4

About 1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane

1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane (PubChem CID 159987676) has the molecular formula C25H35FeOP and a molecular weight of 438.37 g/mol. Its IUPAC name is 1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane.

Molecular Properties

Compound Name1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane
PubChem CID159987676
Molecular FormulaC25H35FeOP
Molecular Weight438.37 g/mol
Exact Mass438.18
IUPAC Name1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane
SMILESCC(O)C1CCCC1P(c1ccccc1)c1ccccc1.CC1CCCC1.[Fe]
InChIInChI=1S/C19H23OP.C6H12.Fe/c1-15(20)18-13-8-14-19(18)21(16-9-4-2-5-10-16)17-11-6-3-7-12-17;1-6-4-2-3-5-6;/h2-7,9-12,15,18-20H,8,13-14H2,1H3;6H,2-5H2,1H3;
InChIKeyOGNUHKVCSWMZLC-UHFFFAOYSA-N
XLogP5.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.37
LogP ≤ 55.86
H-Bond Donors ≤ 51
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;diphenyl-(2-propan-2-ylcyclopentyl)phosphane
CID 90737985
[(1S)-1-[(1R,2R)-2-diphenylphosphanylcyclopentyl]ethyl]-diphenylphosphane
CID 141093024
(1R)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]ethanamine
CID 90131117
carbanide;bis(diphenyl-[2-[(1S)-1-phenylethyl]cyclopentyl]phosphane);iron(2+);methane
CID 162272143
dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 129406680
dicyclohexyl-[1-[(2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 121477932
cyclopentane;1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethylethanamine;iron;hydrate
CID 171371546
carbanide;diphenyl-[2-[(1R)-1-phenylethyl]cyclopentyl]phosphane;iron(2+);[(1R)-1-(2-methylcyclopentyl)ethyl]benzene
CID 162295074
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
[(1S)-1-[(1S,2S)-2-diphenylphosphanylcyclopentyl]-2-methylpropyl]-diphenylphosphane
CID 11698892
[2-[(1R)-1-(2-bromophenyl)ethyl]cyclopentyl]-diphenylphosphane
CID 58903797
cyclopentane;ditert-butyl-[1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 91663083

Frequently Asked Questions

What is the IUPAC name of 1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane?
The IUPAC name of 1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane (CID 159987676) is 1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane.
What is the SMILES notation for 1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane?
The canonical SMILES for 1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane is CC(O)C1CCCC1P(c1ccccc1)c1ccccc1.CC1CCCC1.[Fe].
What is the InChIKey of 1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane?
The InChIKey is OGNUHKVCSWMZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23OP.C6H12.Fe/c1-15(20)18-13-8-14-19(18)21(16-9-4-2-5-10-16)17-11-6-3-7-12-17;1-6-4-2-3-5-6;/h2-7,9-12,15,18-20H,8,13-14H2,1H3;6H,2-5H2,1H3;.
What are the key properties of 1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane?
1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane has a molecular weight of 438.37 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphanylcyclopentyl)ethanol;iron;methylcyclopentane is sourced from PubChem (CID 159987676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).