6-phenyl-1,5,7,11-tetraoxa-6λ5-phosphaspiro[5.5]undecane

C12H17O4P — CID 23417083

IUPAC6-phenyl-1,5,7,11-tetraoxa-6λ5-phosphaspiro[5.5]undecane
SMILESc1ccc(P23(OCCCO2)OCCCO3)cc1
InChIInChI=1S/C12H17O4P/c1-2-6-12(7-3-1)17(13-8-4-9-14-17)15-10-5-11-16-17/h1-3,6-7H,4-5,8-11H2
InChIKeyTYEBCWFHSDPYMD-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.40
Rot. Bonds1

About 6-phenyl-1,5,7,11-tetraoxa-6λ5-phosphaspiro[5.5]undecane

6-phenyl-1,5,7,11-tetraoxa-6λ5-phosphaspiro[5.5]undecane (PubChem CID 23417083) has the molecular formula C12H17O4P and a molecular weight of 256.24 g/mol. Its IUPAC name is 6-phenyl-1,5,7,11-tetraoxa-6λ5-phosphaspiro[5.5]undecane.

Molecular Properties

Compound Name6-phenyl-1,5,7,11-tetraoxa-6λ5-phosphaspiro[5.5]undecane
PubChem CID23417083
Molecular FormulaC12H17O4P
Molecular Weight256.24 g/mol
Exact Mass256.09
IUPAC Name6-phenyl-1,5,7,11-tetraoxa-6λ5-phosphaspiro[5.5]undecane
SMILESc1ccc(P23(OCCCO2)OCCCO3)cc1
InChIInChI=1S/C12H17O4P/c1-2-6-12(7-3-1)17(13-8-4-9-14-17)15-10-5-11-16-17/h1-3,6-7H,4-5,8-11H2
InChIKeyTYEBCWFHSDPYMD-UHFFFAOYSA-N
XLogP2.40
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.40
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

5-phenyl-5λ5-phosphaspiro[4.4]nonane
CID 23419870
oxetane;phenol
CID 67135330
5-phenyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6-trioxa-5λ5-phosphaspiro[4.4]nonane
CID 23417145
2,2-diethoxy-2-phenyl-1,3,2λ5-dioxaphospholane
CID 23418788
benzene;3,4-dihydro-2H-1,5-benzodioxepine;ethane
CID 159794832
(3aR,7aS)-2,2,2-triphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole
CID 13494364
2,6,13,17-tetraoxatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaene
CID 3486729
2-phenyl-1,3,2-dioxaphosphinane
CID 11137748
2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 13308395
2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole
CID 10970687
1,2-dichlorobenzene;dioxane
CID 174792665
1,3,2-dioxaborinan-2-yloxy(triphenyl)silane
CID 102520367

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1,5,7,11-tetraoxa-6λ5-phosphaspiro[5.5]undecane?
The IUPAC name of 6-phenyl-1,5,7,11-tetraoxa-6λ5-phosphaspiro[5.5]undecane (CID 23417083) is 6-phenyl-1,5,7,11-tetraoxa-6λ5-phosphaspiro[5.5]undecane.
What is the SMILES notation for 6-phenyl-1,5,7,11-tetraoxa-6λ5-phosphaspiro[5.5]undecane?
The canonical SMILES for 6-phenyl-1,5,7,11-tetraoxa-6λ5-phosphaspiro[5.5]undecane is c1ccc(P23(OCCCO2)OCCCO3)cc1.
What is the InChIKey of 6-phenyl-1,5,7,11-tetraoxa-6λ5-phosphaspiro[5.5]undecane?
The InChIKey is TYEBCWFHSDPYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O4P/c1-2-6-12(7-3-1)17(13-8-4-9-14-17)15-10-5-11-16-17/h1-3,6-7H,4-5,8-11H2.
What are the key properties of 6-phenyl-1,5,7,11-tetraoxa-6λ5-phosphaspiro[5.5]undecane?
6-phenyl-1,5,7,11-tetraoxa-6λ5-phosphaspiro[5.5]undecane has a molecular weight of 256.24 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1,5,7,11-tetraoxa-6λ5-phosphaspiro[5.5]undecane is sourced from PubChem (CID 23417083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).