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

C43H56O6P2 — CID 71293340

IUPAC[(4R)-5-[bis(4-methoxy-3,5-dimethylphenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane
SMILESCOc1c(C)cc(P(CC2OC(C)(C)O[C@H]2CP(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C
InChIInChI=1S/C43H56O6P2/c1-25-15-33(16-26(2)39(25)44-11)50(34-17-27(3)40(45-12)28(4)18-34)23-37-38(49-43(9,10)48-37)24-51(35-19-29(5)41(46-13)30(6)20-35)36-21-31(7)42(47-14)32(8)22-36/h15-22,37-38H,23-24H2,1-14H3/t37-,38?/m0/s1
InChIKeySKXXXRFPVHLNLJ-AIQPRDSRSA-N
MW730.86 g/mol
LogP8.27
Rot. Bonds12

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

[(4R)-5-[bis(4-methoxy-3,5-dimethylphenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane (PubChem CID 71293340) has the molecular formula C43H56O6P2 and a molecular weight of 730.86 g/mol. Its IUPAC name is [(4R)-5-[bis(4-methoxy-3,5-dimethylphenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Name[(4R)-5-[bis(4-methoxy-3,5-dimethylphenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane
PubChem CID71293340
Molecular FormulaC43H56O6P2
Molecular Weight730.86 g/mol
Exact Mass730.36
IUPAC Name[(4R)-5-[bis(4-methoxy-3,5-dimethylphenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane
SMILESCOc1c(C)cc(P(CC2OC(C)(C)O[C@H]2CP(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C
InChIInChI=1S/C43H56O6P2/c1-25-15-33(16-26(2)39(25)44-11)50(34-17-27(3)40(45-12)28(4)18-34)23-37-38(49-43(9,10)48-37)24-51(35-19-29(5)41(46-13)30(6)20-35)36-21-31(7)42(47-14)32(8)22-36/h15-22,37-38H,23-24H2,1-14H3/t37-,38?/m0/s1
InChIKeySKXXXRFPVHLNLJ-AIQPRDSRSA-N
XLogP8.27
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.86
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(4R)-5-[bis(4-methoxy-3,5-dimethylphenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane with MolForge

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Related Compounds

ethane;ethyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane
CID 143834388
[(4R,5R)-5-[bis(4-chlorophenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-chlorophenyl)phosphane
CID 118920803
2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylethanamine
CID 53406500
N-[[(4S,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methoxy-N-methylaniline
CID 15443434
[3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane
CID 18519085
[4-[5-bis(4-methoxy-3,5-dimethylphenyl)phosphanyl-2,2,7-trimethyl-1,3-benzodioxol-4-yl]-2,2,7-trimethyl-1,3-benzodioxol-5-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane
CID 58839126
CID 11593030
CID 11593030
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-bis(4-methoxy-2,6-dimethylphenyl)phosphane
CID 145039301
CID 53492479
CID 53492479
[(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane
CID 10507797
(E)-3-[(4R,5R)-5-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 44549834
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927

Frequently Asked Questions

What is the IUPAC name of [(4R)-5-[bis(4-methoxy-3,5-dimethylphenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The IUPAC name of [(4R)-5-[bis(4-methoxy-3,5-dimethylphenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane (CID 71293340) is [(4R)-5-[bis(4-methoxy-3,5-dimethylphenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane.
What is the SMILES notation for [(4R)-5-[bis(4-methoxy-3,5-dimethylphenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The canonical SMILES for [(4R)-5-[bis(4-methoxy-3,5-dimethylphenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane is COc1c(C)cc(P(CC2OC(C)(C)O[C@H]2CP(c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)c2cc(C)c(OC)c(C)c2)cc1C.
What is the InChIKey of [(4R)-5-[bis(4-methoxy-3,5-dimethylphenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
The InChIKey is SKXXXRFPVHLNLJ-AIQPRDSRSA-N. The full InChI is InChI=1S/C43H56O6P2/c1-25-15-33(16-26(2)39(25)44-11)50(34-17-27(3)40(45-12)28(4)18-34)23-37-38(49-43(9,10)48-37)24-51(35-19-29(5)41(46-13)30(6)20-35)36-21-31(7)42(47-14)32(8)22-36/h15-22,37-38H,23-24H2,1-14H3/t37-,38?/m0/s1.
What are the key properties of [(4R)-5-[bis(4-methoxy-3,5-dimethylphenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane?
[(4R)-5-[bis(4-methoxy-3,5-dimethylphenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane has a molecular weight of 730.86 g/mol, XLogP of 8.27, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-5-[bis(4-methoxy-3,5-dimethylphenyl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-bis(4-methoxy-3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 71293340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).