[(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron

C38H62FeO2P2 — CID 162302601

IUPAC[(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron
SMILESC1CCCC1.CC(C)Oc1ccccc1P(c1ccccc1OC(C)C)C1CCCC1[C@@H](C)P(C(C)(C)C)C(C)(C)C.[Fe]
InChIInChI=1S/C33H52O2P2.C5H10.Fe/c1-23(2)34-27-18-12-14-20-30(27)36(31-21-15-13-19-28(31)35-24(3)4)29-22-16-17-26(29)25(5)37(32(6,7)8)33(9,10)11;1-2-4-5-3-1;/h12-15,18-21,23-26,29H,16-17,22H2,1-11H3;1-5H2;/t25-,26?,29?;;/m1../s1
InChIKeySIORPEICEFCHOP-PSQGFWASSA-N
MW668.70 g/mol
LogP11.28
Rot. Bonds9

About [(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron

[(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron (PubChem CID 162302601) has the molecular formula C38H62FeO2P2 and a molecular weight of 668.70 g/mol. Its IUPAC name is [(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron.

Molecular Properties

Compound Name[(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron
PubChem CID162302601
Molecular FormulaC38H62FeO2P2
Molecular Weight668.70 g/mol
Exact Mass668.36
IUPAC Name[(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron
SMILESC1CCCC1.CC(C)Oc1ccccc1P(c1ccccc1OC(C)C)C1CCCC1[C@@H](C)P(C(C)(C)C)C(C)(C)C.[Fe]
InChIInChI=1S/C33H52O2P2.C5H10.Fe/c1-23(2)34-27-18-12-14-20-30(27)36(31-21-15-13-19-28(31)35-24(3)4)29-22-16-17-26(29)25(5)37(32(6,7)8)33(9,10)11;1-2-4-5-3-1;/h12-15,18-21,23-26,29H,16-17,22H2,1-11H3;1-5H2;/t25-,26?,29?;;/m1../s1
InChIKeySIORPEICEFCHOP-PSQGFWASSA-N
XLogP11.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.70
LogP ≤ 511.28
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

1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane
CID 123791753
[2-[(1R)-1-bis(3,5-dimethylphenyl)phosphanylethyl]cyclopentyl]-bis(2-propan-2-yloxyphenyl)phosphane;[2-[(1S)-1-bis(2-methylphenyl)phosphanylethyl]cyclopentyl]-ditert-butylphosphane;bis(cyclopentane);iron
CID 162302557
cyclopentane;ditert-butyl-[1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 91663083
cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117061916
1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane;cyclopentane;iron
CID 162287013
1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane
CID 76689541
cyclopentane;ditert-butyl-[(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117064270
1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane
CID 76667487
cyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron
CID 155884987
dicyclohexyl-[(1S)-1-[(1S,2R)-2-diphenylphosphanylcyclopentyl]ethyl]phosphane
CID 129406680
cyclopentane;dicyclohexyl-[2-(1-diphenylphosphanylethyl)cyclopentyl]phosphane;iron
CID 155887361
[(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane
CID 140562071

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron?
The IUPAC name of [(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron (CID 162302601) is [(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron.
What is the SMILES notation for [(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron?
The canonical SMILES for [(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron is C1CCCC1.CC(C)Oc1ccccc1P(c1ccccc1OC(C)C)C1CCCC1[C@@H](C)P(C(C)(C)C)C(C)(C)C.[Fe].
What is the InChIKey of [(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron?
The InChIKey is SIORPEICEFCHOP-PSQGFWASSA-N. The full InChI is InChI=1S/C33H52O2P2.C5H10.Fe/c1-23(2)34-27-18-12-14-20-30(27)36(31-21-15-13-19-28(31)35-24(3)4)29-22-16-17-26(29)25(5)37(32(6,7)8)33(9,10)11;1-2-4-5-3-1;/h12-15,18-21,23-26,29H,16-17,22H2,1-11H3;1-5H2;/t25-,26?,29?;;/m1../s1.
What are the key properties of [(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron?
[(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron has a molecular weight of 668.70 g/mol, XLogP of 11.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron is sourced from PubChem (CID 162302601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).