5,5-dimethyl-2-[[2,4,5-tris[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]phenyl]methyl]-1,3,2-dioxaphosphinane

C30H50O8P4 — CID 161443565

IUPAC5,5-dimethyl-2-[[2,4,5-tris[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]phenyl]methyl]-1,3,2-dioxaphosphinane
SMILESCC1(C)COP(Cc2cc(CP3OCC(C)(C)CO3)c(CP3OCC(C)(C)CO3)cc2CP2OCC(C)(C)CO2)OC1
InChIInChI=1S/C30H50O8P4/c1-27(2)15-31-39(32-16-27)11-23-9-25(13-41-35-19-29(5,6)20-36-41)26(14-42-37-21-30(7,8)22-38-42)10-24(23)12-40-33-17-28(3,4)18-34-40/h9-10H,11-22H2,1-8H3
InChIKeyVZPJEBIPKBVKNW-UHFFFAOYSA-N
MW662.62 g/mol
LogP9.23
Rot. Bonds8

About 5,5-dimethyl-2-[[2,4,5-tris[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]phenyl]methyl]-1,3,2-dioxaphosphinane

5,5-dimethyl-2-[[2,4,5-tris[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]phenyl]methyl]-1,3,2-dioxaphosphinane (PubChem CID 161443565) has the molecular formula C30H50O8P4 and a molecular weight of 662.62 g/mol. Its IUPAC name is 5,5-dimethyl-2-[[2,4,5-tris[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]phenyl]methyl]-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name5,5-dimethyl-2-[[2,4,5-tris[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]phenyl]methyl]-1,3,2-dioxaphosphinane
PubChem CID161443565
Molecular FormulaC30H50O8P4
Molecular Weight662.62 g/mol
Exact Mass662.25
IUPAC Name5,5-dimethyl-2-[[2,4,5-tris[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]phenyl]methyl]-1,3,2-dioxaphosphinane
SMILESCC1(C)COP(Cc2cc(CP3OCC(C)(C)CO3)c(CP3OCC(C)(C)CO3)cc2CP2OCC(C)(C)CO2)OC1
InChIInChI=1S/C30H50O8P4/c1-27(2)15-31-39(32-16-27)11-23-9-25(13-41-35-19-29(5,6)20-36-41)26(14-42-37-21-30(7,8)22-38-42)10-24(23)12-40-33-17-28(3,4)18-34-40/h9-10H,11-22H2,1-8H3
InChIKeyVZPJEBIPKBVKNW-UHFFFAOYSA-N
XLogP9.23
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.62
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[[2,4,5-tris[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]phenyl]methyl]-1,3,2-dioxaphosphinane?
The IUPAC name of 5,5-dimethyl-2-[[2,4,5-tris[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]phenyl]methyl]-1,3,2-dioxaphosphinane (CID 161443565) is 5,5-dimethyl-2-[[2,4,5-tris[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]phenyl]methyl]-1,3,2-dioxaphosphinane.
What is the SMILES notation for 5,5-dimethyl-2-[[2,4,5-tris[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]phenyl]methyl]-1,3,2-dioxaphosphinane?
The canonical SMILES for 5,5-dimethyl-2-[[2,4,5-tris[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]phenyl]methyl]-1,3,2-dioxaphosphinane is CC1(C)COP(Cc2cc(CP3OCC(C)(C)CO3)c(CP3OCC(C)(C)CO3)cc2CP2OCC(C)(C)CO2)OC1.
What is the InChIKey of 5,5-dimethyl-2-[[2,4,5-tris[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]phenyl]methyl]-1,3,2-dioxaphosphinane?
The InChIKey is VZPJEBIPKBVKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50O8P4/c1-27(2)15-31-39(32-16-27)11-23-9-25(13-41-35-19-29(5,6)20-36-41)26(14-42-37-21-30(7,8)22-38-42)10-24(23)12-40-33-17-28(3,4)18-34-40/h9-10H,11-22H2,1-8H3.
What are the key properties of 5,5-dimethyl-2-[[2,4,5-tris[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]phenyl]methyl]-1,3,2-dioxaphosphinane?
5,5-dimethyl-2-[[2,4,5-tris[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]phenyl]methyl]-1,3,2-dioxaphosphinane has a molecular weight of 662.62 g/mol, XLogP of 9.23, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[[2,4,5-tris[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]phenyl]methyl]-1,3,2-dioxaphosphinane is sourced from PubChem (CID 161443565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).