[(2R,5R)-5-diphenylphosphanylhexan-2-yl]-diphenylphosphane

C30H32P2 — CID 10961440

IUPAC[(2R,5R)-5-diphenylphosphanylhexan-2-yl]-diphenylphosphane
SMILESC[C@H](CC[C@@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32P2/c1-25(31(27-15-7-3-8-16-27)28-17-9-4-10-18-28)23-24-26(2)32(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22,25-26H,23-24H2,1-2H3/t25-,26-/m1/s1
InChIKeyPDXNCYRUWZPRJX-CLJLJLNGSA-N
MW454.53 g/mol
LogP6.81
Rot. Bonds9

About [(2R,5R)-5-diphenylphosphanylhexan-2-yl]-diphenylphosphane

[(2R,5R)-5-diphenylphosphanylhexan-2-yl]-diphenylphosphane (PubChem CID 10961440) has the molecular formula C30H32P2 and a molecular weight of 454.53 g/mol. Its IUPAC name is [(2R,5R)-5-diphenylphosphanylhexan-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(2R,5R)-5-diphenylphosphanylhexan-2-yl]-diphenylphosphane
PubChem CID10961440
Molecular FormulaC30H32P2
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name[(2R,5R)-5-diphenylphosphanylhexan-2-yl]-diphenylphosphane
SMILESC[C@H](CC[C@@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32P2/c1-25(31(27-15-7-3-8-16-27)28-17-9-4-10-18-28)23-24-26(2)32(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22,25-26H,23-24H2,1-2H3/t25-,26-/m1/s1
InChIKeyPDXNCYRUWZPRJX-CLJLJLNGSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-diphenylphosphanylhexan-2-yl]-diphenylphosphane?
The IUPAC name of [(2R,5R)-5-diphenylphosphanylhexan-2-yl]-diphenylphosphane (CID 10961440) is [(2R,5R)-5-diphenylphosphanylhexan-2-yl]-diphenylphosphane.
What is the SMILES notation for [(2R,5R)-5-diphenylphosphanylhexan-2-yl]-diphenylphosphane?
The canonical SMILES for [(2R,5R)-5-diphenylphosphanylhexan-2-yl]-diphenylphosphane is C[C@H](CC[C@@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,5R)-5-diphenylphosphanylhexan-2-yl]-diphenylphosphane?
The InChIKey is PDXNCYRUWZPRJX-CLJLJLNGSA-N. The full InChI is InChI=1S/C30H32P2/c1-25(31(27-15-7-3-8-16-27)28-17-9-4-10-18-28)23-24-26(2)32(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22,25-26H,23-24H2,1-2H3/t25-,26-/m1/s1.
What are the key properties of [(2R,5R)-5-diphenylphosphanylhexan-2-yl]-diphenylphosphane?
[(2R,5R)-5-diphenylphosphanylhexan-2-yl]-diphenylphosphane has a molecular weight of 454.53 g/mol, XLogP of 6.81, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-diphenylphosphanylhexan-2-yl]-diphenylphosphane is sourced from PubChem (CID 10961440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).