[2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopentyl]-diphenylphosphane

C29H42N2O2P2 — CID 59715985

IUPAC[2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopentyl]-diphenylphosphane
SMILESCOC[C@H]1CCCN1P(C1CCCC1P(c1ccccc1)c1ccccc1)N1CCC[C@@H]1COC
InChIInChI=1S/C29H42N2O2P2/c1-32-22-24-12-10-20-30(24)35(31-21-11-13-25(31)23-33-2)29-19-9-18-28(29)34(26-14-5-3-6-15-26)27-16-7-4-8-17-27/h3-8,14-17,24-25,28-29H,9-13,18-23H2,1-2H3/t24-,25-,28?,29?/m1/s1
InChIKeyUYUSVFZJUFLRGG-BVSWHAQMSA-N
MW512.62 g/mol
LogP5.57
Rot. Bonds10

About [2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopentyl]-diphenylphosphane

[2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopentyl]-diphenylphosphane (PubChem CID 59715985) has the molecular formula C29H42N2O2P2 and a molecular weight of 512.62 g/mol. Its IUPAC name is [2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopentyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopentyl]-diphenylphosphane
PubChem CID59715985
Molecular FormulaC29H42N2O2P2
Molecular Weight512.62 g/mol
Exact Mass512.27
IUPAC Name[2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopentyl]-diphenylphosphane
SMILESCOC[C@H]1CCCN1P(C1CCCC1P(c1ccccc1)c1ccccc1)N1CCC[C@@H]1COC
InChIInChI=1S/C29H42N2O2P2/c1-32-22-24-12-10-20-30(24)35(31-21-11-13-25(31)23-33-2)29-19-9-18-28(29)34(26-14-5-3-6-15-26)27-16-7-4-8-17-27/h3-8,14-17,24-25,28-29H,9-13,18-23H2,1-2H3/t24-,25-,28?,29?/m1/s1
InChIKeyUYUSVFZJUFLRGG-BVSWHAQMSA-N
XLogP5.57
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.62
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopentyl]-diphenylphosphane?
The IUPAC name of [2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopentyl]-diphenylphosphane (CID 59715985) is [2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopentyl]-diphenylphosphane.
What is the SMILES notation for [2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopentyl]-diphenylphosphane?
The canonical SMILES for [2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopentyl]-diphenylphosphane is COC[C@H]1CCCN1P(C1CCCC1P(c1ccccc1)c1ccccc1)N1CCC[C@@H]1COC.
What is the InChIKey of [2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopentyl]-diphenylphosphane?
The InChIKey is UYUSVFZJUFLRGG-BVSWHAQMSA-N. The full InChI is InChI=1S/C29H42N2O2P2/c1-32-22-24-12-10-20-30(24)35(31-21-11-13-25(31)23-33-2)29-19-9-18-28(29)34(26-14-5-3-6-15-26)27-16-7-4-8-17-27/h3-8,14-17,24-25,28-29H,9-13,18-23H2,1-2H3/t24-,25-,28?,29?/m1/s1.
What are the key properties of [2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopentyl]-diphenylphosphane?
[2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopentyl]-diphenylphosphane has a molecular weight of 512.62 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bis[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]phosphanylcyclopentyl]-diphenylphosphane is sourced from PubChem (CID 59715985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).