[(4R,5R)-5-(diphenylphosphanylmethyl)-2-methyl-2-methyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane

C31H31O2P2+ — CID 134847983

IUPAC[(4R,5R)-5-(diphenylphosphanylmethyl)-2-methyl-2-methyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
SMILES[CH2+]C1(C)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C31H31O2P2/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30H,1,23-24H2,2H3/q+1/t29-,30-/m0/s1
InChIKeyIWTHAVOYKFQSSI-KYJUHHDHSA-N
MW497.54 g/mol
LogP5.59
Rot. Bonds8

About [(4R,5R)-5-(diphenylphosphanylmethyl)-2-methyl-2-methyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane

[(4R,5R)-5-(diphenylphosphanylmethyl)-2-methyl-2-methyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane (PubChem CID 134847983) has the molecular formula C31H31O2P2+ and a molecular weight of 497.54 g/mol. Its IUPAC name is [(4R,5R)-5-(diphenylphosphanylmethyl)-2-methyl-2-methyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[(4R,5R)-5-(diphenylphosphanylmethyl)-2-methyl-2-methyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
PubChem CID134847983
Molecular FormulaC31H31O2P2+
Molecular Weight497.54 g/mol
Exact Mass497.18
IUPAC Name[(4R,5R)-5-(diphenylphosphanylmethyl)-2-methyl-2-methyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
SMILES[CH2+]C1(C)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C31H31O2P2/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30H,1,23-24H2,2H3/q+1/t29-,30-/m0/s1
InChIKeyIWTHAVOYKFQSSI-KYJUHHDHSA-N
XLogP5.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.54
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-(diphenylphosphanylmethyl)-2-methyl-2-methyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
The IUPAC name of [(4R,5R)-5-(diphenylphosphanylmethyl)-2-methyl-2-methyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane (CID 134847983) is [(4R,5R)-5-(diphenylphosphanylmethyl)-2-methyl-2-methyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane.
What is the SMILES notation for [(4R,5R)-5-(diphenylphosphanylmethyl)-2-methyl-2-methyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
The canonical SMILES for [(4R,5R)-5-(diphenylphosphanylmethyl)-2-methyl-2-methyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane is [CH2+]C1(C)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of [(4R,5R)-5-(diphenylphosphanylmethyl)-2-methyl-2-methyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
The InChIKey is IWTHAVOYKFQSSI-KYJUHHDHSA-N. The full InChI is InChI=1S/C31H31O2P2/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30H,1,23-24H2,2H3/q+1/t29-,30-/m0/s1.
What are the key properties of [(4R,5R)-5-(diphenylphosphanylmethyl)-2-methyl-2-methyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
[(4R,5R)-5-(diphenylphosphanylmethyl)-2-methyl-2-methyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane has a molecular weight of 497.54 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-(diphenylphosphanylmethyl)-2-methyl-2-methyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane is sourced from PubChem (CID 134847983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).