ditert-butyl-[(2R,5R)-2,5-diphenylphospholan-1-yl]phosphane

C24H34P2 — CID 122364984

IUPACditert-butyl-[(2R,5R)-2,5-diphenylphospholan-1-yl]phosphane
SMILESCC(C)(C)P(P1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H34P2/c1-23(2,3)26(24(4,5)6)25-21(19-13-9-7-10-14-19)17-18-22(25)20-15-11-8-12-16-20/h7-16,21-22H,17-18H2,1-6H3/t21-,22-/m1/s1
InChIKeyQZRLQSOOAWVCEU-FGZHOGPDSA-N
MW384.48 g/mol
LogP8.74
Rot. Bonds3

About ditert-butyl-[(2R,5R)-2,5-diphenylphospholan-1-yl]phosphane

ditert-butyl-[(2R,5R)-2,5-diphenylphospholan-1-yl]phosphane (PubChem CID 122364984) has the molecular formula C24H34P2 and a molecular weight of 384.48 g/mol. Its IUPAC name is ditert-butyl-[(2R,5R)-2,5-diphenylphospholan-1-yl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[(2R,5R)-2,5-diphenylphospholan-1-yl]phosphane
PubChem CID122364984
Molecular FormulaC24H34P2
Molecular Weight384.48 g/mol
Exact Mass384.21
IUPAC Nameditert-butyl-[(2R,5R)-2,5-diphenylphospholan-1-yl]phosphane
SMILESCC(C)(C)P(P1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H34P2/c1-23(2,3)26(24(4,5)6)25-21(19-13-9-7-10-14-19)17-18-22(25)20-15-11-8-12-16-20/h7-16,21-22H,17-18H2,1-6H3/t21-,22-/m1/s1
InChIKeyQZRLQSOOAWVCEU-FGZHOGPDSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 58.74
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 ditert-butyl-[(2R,5R)-2,5-diphenylphospholan-1-yl]phosphane?
The IUPAC name of ditert-butyl-[(2R,5R)-2,5-diphenylphospholan-1-yl]phosphane (CID 122364984) is ditert-butyl-[(2R,5R)-2,5-diphenylphospholan-1-yl]phosphane.
What is the SMILES notation for ditert-butyl-[(2R,5R)-2,5-diphenylphospholan-1-yl]phosphane?
The canonical SMILES for ditert-butyl-[(2R,5R)-2,5-diphenylphospholan-1-yl]phosphane is CC(C)(C)P(P1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1)C(C)(C)C.
What is the InChIKey of ditert-butyl-[(2R,5R)-2,5-diphenylphospholan-1-yl]phosphane?
The InChIKey is QZRLQSOOAWVCEU-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H34P2/c1-23(2,3)26(24(4,5)6)25-21(19-13-9-7-10-14-19)17-18-22(25)20-15-11-8-12-16-20/h7-16,21-22H,17-18H2,1-6H3/t21-,22-/m1/s1.
What are the key properties of ditert-butyl-[(2R,5R)-2,5-diphenylphospholan-1-yl]phosphane?
ditert-butyl-[(2R,5R)-2,5-diphenylphospholan-1-yl]phosphane has a molecular weight of 384.48 g/mol, XLogP of 8.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[(2R,5R)-2,5-diphenylphospholan-1-yl]phosphane is sourced from PubChem (CID 122364984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).