3,9-diphenyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

C17H18O4P2 — CID 12518092

IUPAC3,9-diphenyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESc1ccc(P2OCC3(CO2)COP(c2ccccc2)OC3)cc1
InChIInChI=1S/C17H18O4P2/c1-3-7-15(8-4-1)22-18-11-17(12-19-22)13-20-23(21-14-17)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyAPECIMRFBOIRSX-UHFFFAOYSA-N
MW348.27 g/mol
LogP3.34
Rot. Bonds2

About 3,9-diphenyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

3,9-diphenyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (PubChem CID 12518092) has the molecular formula C17H18O4P2 and a molecular weight of 348.27 g/mol. Its IUPAC name is 3,9-diphenyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-diphenyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
PubChem CID12518092
Molecular FormulaC17H18O4P2
Molecular Weight348.27 g/mol
Exact Mass348.07
IUPAC Name3,9-diphenyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESc1ccc(P2OCC3(CO2)COP(c2ccccc2)OC3)cc1
InChIInChI=1S/C17H18O4P2/c1-3-7-15(8-4-1)22-18-11-17(12-19-22)13-20-23(21-14-17)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyAPECIMRFBOIRSX-UHFFFAOYSA-N
XLogP3.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-1,3,2-dioxaphosphinane
CID 11137748
3,9-bis(1-phenylethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 87909825
1,2,3-triphenyltriphosphirane
CID 15826924
2,7,12,17,22-pentakis-phenyl-2,7,12,17,22-pentaphosphahexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene
CID 132559225
3,4-dimethyl-1-phenylphospholane
CID 11732644
2,4-dimethyl-1-phenylphosphetane
CID 23418540
2,5-dimethyl-1-phenyl-2,3-dihydrophosphole
CID 12706078
3-(2,6-ditert-butyl-4-methylphenoxy)-9-phenylmethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 175385087
1,5-diphenyl-1,5-diphosphocane
CID 14738745
(2S,3S)-2,3-dimethyl-1-phenylphosphirane
CID 10844752
2-methyl-1-phenylphosphirene
CID 70018230
1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane
CID 132567195

Frequently Asked Questions

What is the IUPAC name of 3,9-diphenyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The IUPAC name of 3,9-diphenyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (CID 12518092) is 3,9-diphenyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.
What is the SMILES notation for 3,9-diphenyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The canonical SMILES for 3,9-diphenyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is c1ccc(P2OCC3(CO2)COP(c2ccccc2)OC3)cc1.
What is the InChIKey of 3,9-diphenyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The InChIKey is APECIMRFBOIRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4P2/c1-3-7-15(8-4-1)22-18-11-17(12-19-22)13-20-23(21-14-17)16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of 3,9-diphenyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
3,9-diphenyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane has a molecular weight of 348.27 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diphenyl-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is sourced from PubChem (CID 12518092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).