cyclopentyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane;dicyclohexyl(1-cyclopentylethyl)phosphane;iron

C42H66FeO2P2 — CID 137321453

IUPACcyclopentyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane;dicyclohexyl(1-cyclopentylethyl)phosphane;iron
SMILESCC(C1CCCC1)P(C1CCCCC1)C1CCCCC1.COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)C2CCCC2)cc1C.[Fe]
InChIInChI=1S/C23H31O2P.C19H35P.Fe/c1-15-11-20(12-16(2)22(15)24-5)26(19-9-7-8-10-19)21-13-17(3)23(25-6)18(4)14-21;1-16(17-10-8-9-11-17)20(18-12-4-2-5-13-18)19-14-6-3-7-15-19;/h11-14,19H,7-10H2,1-6H3;16-19H,2-15H2,1H3;
InChIKeyRPJGOLCBJAXTKA-UHFFFAOYSA-N
MW720.78 g/mol
LogP12.02
Rot. Bonds9

About cyclopentyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane;dicyclohexyl(1-cyclopentylethyl)phosphane;iron

cyclopentyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane;dicyclohexyl(1-cyclopentylethyl)phosphane;iron (PubChem CID 137321453) has the molecular formula C42H66FeO2P2 and a molecular weight of 720.78 g/mol. Its IUPAC name is cyclopentyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane;dicyclohexyl(1-cyclopentylethyl)phosphane;iron.

Molecular Properties

Compound Namecyclopentyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane;dicyclohexyl(1-cyclopentylethyl)phosphane;iron
PubChem CID137321453
Molecular FormulaC42H66FeO2P2
Molecular Weight720.78 g/mol
Exact Mass720.39
IUPAC Namecyclopentyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane;dicyclohexyl(1-cyclopentylethyl)phosphane;iron
SMILESCC(C1CCCC1)P(C1CCCCC1)C1CCCCC1.COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)C2CCCC2)cc1C.[Fe]
InChIInChI=1S/C23H31O2P.C19H35P.Fe/c1-15-11-20(12-16(2)22(15)24-5)26(19-9-7-8-10-19)21-13-17(3)23(25-6)18(4)14-21;1-16(17-10-8-9-11-17)20(18-12-4-2-5-13-18)19-14-6-3-7-15-19;/h11-14,19H,7-10H2,1-6H3;16-19H,2-15H2,1H3;
InChIKeyRPJGOLCBJAXTKA-UHFFFAOYSA-N
XLogP12.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.78
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl]-dicyclohexylphosphane
CID 135085441
[2-[1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
CID 76609630
[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-dichlorophosphane
CID 58900679
1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethyl-dicyclohexylphosphane;cyclopenta-1,3-diene;iron(2+)
CID 158000939
bis((1S)-1-[2-bis(3,5-dimethylphenyl)phosphanylcyclopentyl]-N,N-dimethyl-1-phenylmethanamine);(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine;(1S)-1-[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine;[4-[[2-[(S)-dimethylamino(phenyl)methyl]cyclopentyl]-(4-methoxy-3,5-dimethylphenyl)phosphanyl]-2,6-dimethylphenyl]methanol;iron;(1S)-1-[2-[(4-methoxy-3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]cyclopentyl]-N,N-dimethyl-1-phenylmethanamine
CID 162302548
bis(4-methoxy-3,5-dimethylphenyl)-[(8R)-spiro[3.4]octan-8-yl]phosphane
CID 144514405
dicyclohexyl-[2-(6-dicyclohexylphosphanyl-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane
CID 11250875
bis[3,5-bis(trifluoromethyl)phenyl]-[2-[(1S)-1-dicyclohexylphosphanylethyl]cyclopentyl]phosphane
CID 89432891
2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 83154112
[(2R)-2-butylcyclopentyl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
CID 144514442
dicyclohexyl-[1-[(2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 121477932
dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 129406680

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane;dicyclohexyl(1-cyclopentylethyl)phosphane;iron?
The IUPAC name of cyclopentyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane;dicyclohexyl(1-cyclopentylethyl)phosphane;iron (CID 137321453) is cyclopentyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane;dicyclohexyl(1-cyclopentylethyl)phosphane;iron.
What is the SMILES notation for cyclopentyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane;dicyclohexyl(1-cyclopentylethyl)phosphane;iron?
The canonical SMILES for cyclopentyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane;dicyclohexyl(1-cyclopentylethyl)phosphane;iron is CC(C1CCCC1)P(C1CCCCC1)C1CCCCC1.COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)C2CCCC2)cc1C.[Fe].
What is the InChIKey of cyclopentyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane;dicyclohexyl(1-cyclopentylethyl)phosphane;iron?
The InChIKey is RPJGOLCBJAXTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31O2P.C19H35P.Fe/c1-15-11-20(12-16(2)22(15)24-5)26(19-9-7-8-10-19)21-13-17(3)23(25-6)18(4)14-21;1-16(17-10-8-9-11-17)20(18-12-4-2-5-13-18)19-14-6-3-7-15-19;/h11-14,19H,7-10H2,1-6H3;16-19H,2-15H2,1H3;.
What are the key properties of cyclopentyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane;dicyclohexyl(1-cyclopentylethyl)phosphane;iron?
cyclopentyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane;dicyclohexyl(1-cyclopentylethyl)phosphane;iron has a molecular weight of 720.78 g/mol, XLogP of 12.02, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane;dicyclohexyl(1-cyclopentylethyl)phosphane;iron is sourced from PubChem (CID 137321453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).