[(1R)-1-[(4S,5S)-5-[(1R)-1-diphenylphosphanylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-diphenylphosphane

C33H36O2P2 — CID 10554116

IUPAC[(1R)-1-[(4S,5S)-5-[(1R)-1-diphenylphosphanylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-diphenylphosphane
SMILESC[C@H]([C@H]1OC(C)(C)O[C@@H]1[C@@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H36O2P2/c1-25(36(27-17-9-5-10-18-27)28-19-11-6-12-20-28)31-32(35-33(3,4)34-31)26(2)37(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-26,31-32H,1-4H3/t25-,26-,31-,32-/m1/s1
InChIKeyXFIALTWJZRBKQY-QBQKZGEHSA-N
MW526.60 g/mol
LogP6.55
Rot. Bonds8

About [(1R)-1-[(4S,5S)-5-[(1R)-1-diphenylphosphanylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-diphenylphosphane

[(1R)-1-[(4S,5S)-5-[(1R)-1-diphenylphosphanylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-diphenylphosphane (PubChem CID 10554116) has the molecular formula C33H36O2P2 and a molecular weight of 526.60 g/mol. Its IUPAC name is [(1R)-1-[(4S,5S)-5-[(1R)-1-diphenylphosphanylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-diphenylphosphane.

Molecular Properties

Compound Name[(1R)-1-[(4S,5S)-5-[(1R)-1-diphenylphosphanylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-diphenylphosphane
PubChem CID10554116
Molecular FormulaC33H36O2P2
Molecular Weight526.60 g/mol
Exact Mass526.22
IUPAC Name[(1R)-1-[(4S,5S)-5-[(1R)-1-diphenylphosphanylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-diphenylphosphane
SMILESC[C@H]([C@H]1OC(C)(C)O[C@@H]1[C@@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H36O2P2/c1-25(36(27-17-9-5-10-18-27)28-19-11-6-12-20-28)31-32(35-33(3,4)34-31)26(2)37(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-26,31-32H,1-4H3/t25-,26-,31-,32-/m1/s1
InChIKeyXFIALTWJZRBKQY-QBQKZGEHSA-N
XLogP6.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 56.55
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 [(1R)-1-[(4S,5S)-5-[(1R)-1-diphenylphosphanylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-diphenylphosphane?
The IUPAC name of [(1R)-1-[(4S,5S)-5-[(1R)-1-diphenylphosphanylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-diphenylphosphane (CID 10554116) is [(1R)-1-[(4S,5S)-5-[(1R)-1-diphenylphosphanylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-diphenylphosphane.
What is the SMILES notation for [(1R)-1-[(4S,5S)-5-[(1R)-1-diphenylphosphanylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-diphenylphosphane?
The canonical SMILES for [(1R)-1-[(4S,5S)-5-[(1R)-1-diphenylphosphanylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-diphenylphosphane is C[C@H]([C@H]1OC(C)(C)O[C@@H]1[C@@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R)-1-[(4S,5S)-5-[(1R)-1-diphenylphosphanylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-diphenylphosphane?
The InChIKey is XFIALTWJZRBKQY-QBQKZGEHSA-N. The full InChI is InChI=1S/C33H36O2P2/c1-25(36(27-17-9-5-10-18-27)28-19-11-6-12-20-28)31-32(35-33(3,4)34-31)26(2)37(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-26,31-32H,1-4H3/t25-,26-,31-,32-/m1/s1.
What are the key properties of [(1R)-1-[(4S,5S)-5-[(1R)-1-diphenylphosphanylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-diphenylphosphane?
[(1R)-1-[(4S,5S)-5-[(1R)-1-diphenylphosphanylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-diphenylphosphane has a molecular weight of 526.60 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(4S,5S)-5-[(1R)-1-diphenylphosphanylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-diphenylphosphane is sourced from PubChem (CID 10554116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).