[(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane

C31H28Cl4O2P2 — CID 118920803

IUPAC[(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane
SMILESCC1(C)O[C@@H](CP(c2ccc(Cl)cc2)c2ccc(Cl)cc2)[C@H](CP(c2ccc(Cl)cc2)c2ccc(Cl)cc2)O1
InChIInChI=1S/C31H28Cl4O2P2/c1-31(2)36-29(19-38(25-11-3-21(32)4-12-25)26-13-5-22(33)6-14-26)30(37-31)20-39(27-15-7-23(34)8-16-27)28-17-9-24(35)10-18-28/h3-18,29-30H,19-20H2,1-2H3/t29-,30-/m0/s1
InChIKeyRRAQYJOXFVUROV-KYJUHHDHSA-N
MW636.32 g/mol
LogP8.39
Rot. Bonds8

About [(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane

[(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane (PubChem CID 118920803) has the molecular formula C31H28Cl4O2P2 and a molecular weight of 636.32 g/mol. Its IUPAC name is [(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane.

Molecular Properties

Compound Name[(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane
PubChem CID118920803
Molecular FormulaC31H28Cl4O2P2
Molecular Weight636.32 g/mol
Exact Mass634.03
IUPAC Name[(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane
SMILESCC1(C)O[C@@H](CP(c2ccc(Cl)cc2)c2ccc(Cl)cc2)[C@H](CP(c2ccc(Cl)cc2)c2ccc(Cl)cc2)O1
InChIInChI=1S/C31H28Cl4O2P2/c1-31(2)36-29(19-38(25-11-3-21(32)4-12-25)26-13-5-22(33)6-14-26)30(37-31)20-39(27-15-7-23(34)8-16-27)28-17-9-24(35)10-18-28/h3-18,29-30H,19-20H2,1-2H3/t29-,30-/m0/s1
InChIKeyRRAQYJOXFVUROV-KYJUHHDHSA-N
XLogP8.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.32
LogP ≤ 58.39
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

(-)-Diop
CID 395120
((5-((Diphenylphosphino)methyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl)(diphenyl)phosphine
CID 122582
(+)-2,2-Dimethyl-4,5-((diphenylphosphino)dimethyl)dioxolane
CID 3084647
[(4R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
CID 2752821
(4r,5r)-trans-4,5-Bis(diphenylphosphino)-2,2-dimethyl-1,3-dioxolane
CID 13147872
trans-Bis(diphenylphosphinomethyl)dioxolane
CID 88740726
[(1R)-1-[(4S,5S)-5-[(1R)-1-diphenylphosphanylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-diphenylphosphane
CID 10554116
dichloropalladium;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
CID 11072443
dichlorocobalt;[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
CID 11204403
[(4S,5S)-5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylphosphane
CID 11754463
[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-iodo-methyl-diphenyl-lambda5-phosphane
CID 15865947
[(4R,5R)-5-(diphenylphosphanylmethyl)-2-methyl-2-methyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
CID 134847983

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane?
The IUPAC name of [(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane (CID 118920803) is [(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane.
What is the SMILES notation for [(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane?
The canonical SMILES for [(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane is CC1(C)O[C@@H](CP(c2ccc(Cl)cc2)c2ccc(Cl)cc2)[C@H](CP(c2ccc(Cl)cc2)c2ccc(Cl)cc2)O1.
What is the InChIKey of [(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane?
The InChIKey is RRAQYJOXFVUROV-KYJUHHDHSA-N. The full InChI is InChI=1S/C31H28Cl4O2P2/c1-31(2)36-29(19-38(25-11-3-21(32)4-12-25)26-13-5-22(33)6-14-26)30(37-31)20-39(27-15-7-23(34)8-16-27)28-17-9-24(35)10-18-28/h3-18,29-30H,19-20H2,1-2H3/t29-,30-/m0/s1.
What are the key properties of [(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane?
[(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane has a molecular weight of 636.32 g/mol, XLogP of 8.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane is sourced from PubChem (CID 118920803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).