[(2R,3R,5S)-5-(diphenylphosphanylmethyl)spiro[2.2]pentan-2-yl]-diphenylphosphane

C30H28P2 — CID 57379171

IUPAC[(2R,3R,5S)-5-(diphenylphosphanylmethyl)spiro[2.2]pentan-2-yl]-diphenylphosphane
SMILESc1ccc(P(C[C@H]2C[C@@]23C[C@H]3P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H28P2/c1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)23-24-21-30(24)22-29(30)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,24,29H,21-23H2/t24-,29-,30-/m1/s1
InChIKeyUDGDNCCWPUNALI-HGLPBTONSA-N
MW450.50 g/mol
LogP6.03
Rot. Bonds7

About [(2R,3R,5S)-5-(diphenylphosphanylmethyl)spiro[2.2]pentan-2-yl]-diphenylphosphane

[(2R,3R,5S)-5-(diphenylphosphanylmethyl)spiro[2.2]pentan-2-yl]-diphenylphosphane (PubChem CID 57379171) has the molecular formula C30H28P2 and a molecular weight of 450.50 g/mol. Its IUPAC name is [(2R,3R,5S)-5-(diphenylphosphanylmethyl)spiro[2.2]pentan-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(2R,3R,5S)-5-(diphenylphosphanylmethyl)spiro[2.2]pentan-2-yl]-diphenylphosphane
PubChem CID57379171
Molecular FormulaC30H28P2
Molecular Weight450.50 g/mol
Exact Mass450.17
IUPAC Name[(2R,3R,5S)-5-(diphenylphosphanylmethyl)spiro[2.2]pentan-2-yl]-diphenylphosphane
SMILESc1ccc(P(C[C@H]2C[C@@]23C[C@H]3P(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H28P2/c1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)23-24-21-30(24)22-29(30)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,24,29H,21-23H2/t24-,29-,30-/m1/s1
InChIKeyUDGDNCCWPUNALI-HGLPBTONSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 56.03
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,3R,5S)-5-(diphenylphosphanylmethyl)spiro[2.2]pentan-2-yl]-diphenylphosphane?
The IUPAC name of [(2R,3R,5S)-5-(diphenylphosphanylmethyl)spiro[2.2]pentan-2-yl]-diphenylphosphane (CID 57379171) is [(2R,3R,5S)-5-(diphenylphosphanylmethyl)spiro[2.2]pentan-2-yl]-diphenylphosphane.
What is the SMILES notation for [(2R,3R,5S)-5-(diphenylphosphanylmethyl)spiro[2.2]pentan-2-yl]-diphenylphosphane?
The canonical SMILES for [(2R,3R,5S)-5-(diphenylphosphanylmethyl)spiro[2.2]pentan-2-yl]-diphenylphosphane is c1ccc(P(C[C@H]2C[C@@]23C[C@H]3P(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(2R,3R,5S)-5-(diphenylphosphanylmethyl)spiro[2.2]pentan-2-yl]-diphenylphosphane?
The InChIKey is UDGDNCCWPUNALI-HGLPBTONSA-N. The full InChI is InChI=1S/C30H28P2/c1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)23-24-21-30(24)22-29(30)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,24,29H,21-23H2/t24-,29-,30-/m1/s1.
What are the key properties of [(2R,3R,5S)-5-(diphenylphosphanylmethyl)spiro[2.2]pentan-2-yl]-diphenylphosphane?
[(2R,3R,5S)-5-(diphenylphosphanylmethyl)spiro[2.2]pentan-2-yl]-diphenylphosphane has a molecular weight of 450.50 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5S)-5-(diphenylphosphanylmethyl)spiro[2.2]pentan-2-yl]-diphenylphosphane is sourced from PubChem (CID 57379171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).