dicyclohexyl-[2-(dicyclohexylphosphanyloxymethyl)pyrrolidin-1-yl]phosphane

C29H53NOP2 — CID 543461

IUPACdicyclohexyl-[2-(dicyclohexylphosphanyloxymethyl)pyrrolidin-1-yl]phosphane
SMILESC1CCC(P(OCC2CCCN2P(C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C29H53NOP2/c1-5-15-26(16-6-1)32(27-17-7-2-8-18-27)30-23-13-14-25(30)24-31-33(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h25-29H,1-24H2
InChIKeyJSUOUXVJKNAHTI-UHFFFAOYSA-N
MW493.70 g/mol
LogP9.59
Rot. Bonds8

About dicyclohexyl-[2-(dicyclohexylphosphanyloxymethyl)pyrrolidin-1-yl]phosphane

dicyclohexyl-[2-(dicyclohexylphosphanyloxymethyl)pyrrolidin-1-yl]phosphane (PubChem CID 543461) has the molecular formula C29H53NOP2 and a molecular weight of 493.70 g/mol. Its IUPAC name is dicyclohexyl-[2-(dicyclohexylphosphanyloxymethyl)pyrrolidin-1-yl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-(dicyclohexylphosphanyloxymethyl)pyrrolidin-1-yl]phosphane
PubChem CID543461
Molecular FormulaC29H53NOP2
Molecular Weight493.70 g/mol
Exact Mass493.36
IUPAC Namedicyclohexyl-[2-(dicyclohexylphosphanyloxymethyl)pyrrolidin-1-yl]phosphane
SMILESC1CCC(P(OCC2CCCN2P(C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C29H53NOP2/c1-5-15-26(16-6-1)32(27-17-7-2-8-18-27)30-23-13-14-25(30)24-31-33(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h25-29H,1-24H2
InChIKeyJSUOUXVJKNAHTI-UHFFFAOYSA-N
XLogP9.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.70
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-(dicyclohexylphosphanyloxymethyl)pyrrolidin-1-yl]phosphane?
The IUPAC name of dicyclohexyl-[2-(dicyclohexylphosphanyloxymethyl)pyrrolidin-1-yl]phosphane (CID 543461) is dicyclohexyl-[2-(dicyclohexylphosphanyloxymethyl)pyrrolidin-1-yl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-(dicyclohexylphosphanyloxymethyl)pyrrolidin-1-yl]phosphane?
The canonical SMILES for dicyclohexyl-[2-(dicyclohexylphosphanyloxymethyl)pyrrolidin-1-yl]phosphane is C1CCC(P(OCC2CCCN2P(C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of dicyclohexyl-[2-(dicyclohexylphosphanyloxymethyl)pyrrolidin-1-yl]phosphane?
The InChIKey is JSUOUXVJKNAHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H53NOP2/c1-5-15-26(16-6-1)32(27-17-7-2-8-18-27)30-23-13-14-25(30)24-31-33(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h25-29H,1-24H2.
What are the key properties of dicyclohexyl-[2-(dicyclohexylphosphanyloxymethyl)pyrrolidin-1-yl]phosphane?
dicyclohexyl-[2-(dicyclohexylphosphanyloxymethyl)pyrrolidin-1-yl]phosphane has a molecular weight of 493.70 g/mol, XLogP of 9.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(dicyclohexylphosphanyloxymethyl)pyrrolidin-1-yl]phosphane is sourced from PubChem (CID 543461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).