1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane

C33H52O2P2 — CID 123791753

IUPAC1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane
SMILESCC(C)Oc1ccccc1P(c1ccccc1OC(C)C)C1CCCC1C(C)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C33H52O2P2/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/h12-15,18-21,23-26,29H,16-17,22H2,1-11H3
InChIKeyAMKBDILNZRHMGI-UHFFFAOYSA-N
MW542.73 g/mol
LogP9.33
Rot. Bonds9

About 1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane

1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane (PubChem CID 123791753) has the molecular formula C33H52O2P2 and a molecular weight of 542.73 g/mol. Its IUPAC name is 1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane.

Molecular Properties

Compound Name1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane
PubChem CID123791753
Molecular FormulaC33H52O2P2
Molecular Weight542.73 g/mol
Exact Mass542.34
IUPAC Name1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane
SMILESCC(C)Oc1ccccc1P(c1ccccc1OC(C)C)C1CCCC1C(C)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C33H52O2P2/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/h12-15,18-21,23-26,29H,16-17,22H2,1-11H3
InChIKeyAMKBDILNZRHMGI-UHFFFAOYSA-N
XLogP9.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.73
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl]-ditert-butylphosphane;cyclopentane;iron
CID 162302601
[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-[(1R)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117064299
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
CID 76689541
1-[2-bis(4-methylphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane;cyclopentane;iron
CID 162287013
1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane
CID 76667487
ditert-butyl-[1-[(1R)-2-dicyclohexylphosphanylcyclopentyl]ethyl]phosphane
CID 137018906
cyclopentane;ditert-butyl-[(1S)-1-(2-dicyclohexylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117064270
[(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane
CID 140562071
cyclopentane;ditert-butyl-[(1R)-1-(2-phenylphosphonoylcyclopentyl)ethyl]phosphane;iron
CID 155884987

Frequently Asked Questions

What is the IUPAC name of 1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane?
The IUPAC name of 1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane (CID 123791753) is 1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane.
What is the SMILES notation for 1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane?
The canonical SMILES for 1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane is CC(C)Oc1ccccc1P(c1ccccc1OC(C)C)C1CCCC1C(C)P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane?
The InChIKey is AMKBDILNZRHMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52O2P2/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/h12-15,18-21,23-26,29H,16-17,22H2,1-11H3.
What are the key properties of 1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane?
1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane has a molecular weight of 542.73 g/mol, XLogP of 9.33, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bis(2-propan-2-yloxyphenyl)phosphanylcyclopentyl]ethyl-ditert-butylphosphane is sourced from PubChem (CID 123791753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).