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

C33H36O2P2 — CID 58555952

IUPAC[(4S,5S)-5-(diphenylphosphanylmethyl)-2,2,4,5-tetramethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
SMILESCC1(C)O[C@](C)(CP(c2ccccc2)c2ccccc2)[C@@](C)(CP(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C33H36O2P2/c1-31(2)34-32(3,25-36(27-17-9-5-10-18-27)28-19-11-6-12-20-28)33(4,35-31)26-37(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-24H,25-26H2,1-4H3/t32-,33-/m1/s1
InChIKeyNVWQECBTWCUFSL-CZNDPXEESA-N
MW526.60 g/mol
LogP6.55
Rot. Bonds8

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

[(4S,5S)-5-(diphenylphosphanylmethyl)-2,2,4,5-tetramethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane (PubChem CID 58555952) has the molecular formula C33H36O2P2 and a molecular weight of 526.60 g/mol. Its IUPAC name is [(4S,5S)-5-(diphenylphosphanylmethyl)-2,2,4,5-tetramethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[(4S,5S)-5-(diphenylphosphanylmethyl)-2,2,4,5-tetramethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
PubChem CID58555952
Molecular FormulaC33H36O2P2
Molecular Weight526.60 g/mol
Exact Mass526.22
IUPAC Name[(4S,5S)-5-(diphenylphosphanylmethyl)-2,2,4,5-tetramethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
SMILESCC1(C)O[C@](C)(CP(c2ccccc2)c2ccccc2)[C@@](C)(CP(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C33H36O2P2/c1-31(2)34-32(3,25-36(27-17-9-5-10-18-27)28-19-11-6-12-20-28)33(4,35-31)26-37(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-24H,25-26H2,1-4H3/t32-,33-/m1/s1
InChIKeyNVWQECBTWCUFSL-CZNDPXEESA-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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Related Compounds

1,2-bis(diphenylphosphanylmethyl)-3,3-dimethylcyclopropane-1,2-diol
CID 18172358
dimethylsilylmethyl(diphenyl)phosphane
CID 71413645
[3-(diphenylphosphanylmethyl)-4,5-dimethyldioxolan-3-yl]methyl-diphenylphosphane
CID 88785193
bis(diphenylphosphanylmethyl)-trimethylsilylphosphane
CID 578775
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
diphenylphosphanylmethyl(diphenyl)phosphane;ruthenium
CID 87761562
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635
(5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxol-4-yl)-diphenylphosphane
CID 141003274
methoxymethyl(diphenyl)phosphane
CID 819497
3-diphenylphosphanylprop-1-en-2-ol
CID 58420868
3-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propyl-diphenylphosphane
CID 101105059
[3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane
CID 18519085

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-(diphenylphosphanylmethyl)-2,2,4,5-tetramethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
The IUPAC name of [(4S,5S)-5-(diphenylphosphanylmethyl)-2,2,4,5-tetramethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane (CID 58555952) is [(4S,5S)-5-(diphenylphosphanylmethyl)-2,2,4,5-tetramethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane.
What is the SMILES notation for [(4S,5S)-5-(diphenylphosphanylmethyl)-2,2,4,5-tetramethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
The canonical SMILES for [(4S,5S)-5-(diphenylphosphanylmethyl)-2,2,4,5-tetramethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane is CC1(C)O[C@](C)(CP(c2ccccc2)c2ccccc2)[C@@](C)(CP(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of [(4S,5S)-5-(diphenylphosphanylmethyl)-2,2,4,5-tetramethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
The InChIKey is NVWQECBTWCUFSL-CZNDPXEESA-N. The full InChI is InChI=1S/C33H36O2P2/c1-31(2)34-32(3,25-36(27-17-9-5-10-18-27)28-19-11-6-12-20-28)33(4,35-31)26-37(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-24H,25-26H2,1-4H3/t32-,33-/m1/s1.
What are the key properties of [(4S,5S)-5-(diphenylphosphanylmethyl)-2,2,4,5-tetramethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane?
[(4S,5S)-5-(diphenylphosphanylmethyl)-2,2,4,5-tetramethyl-1,3-dioxolan-4-yl]methyl-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 [(4S,5S)-5-(diphenylphosphanylmethyl)-2,2,4,5-tetramethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane is sourced from PubChem (CID 58555952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).