3,3-diphenyl-1,4,6,9-tetraoxa-5-phosphoniaspiro[4.4]nonan-2-one

C16H14O5P+ — CID 23413662

IUPAC3,3-diphenyl-1,4,6,9-tetraoxa-5-phosphoniaspiro[4.4]nonan-2-one
SMILESO=C1O[P+]2(OCCO2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O5P/c17-15-16(13-7-3-1-4-8-13,14-9-5-2-6-10-14)21-22(20-15)18-11-12-19-22/h1-10H,11-12H2/q+1
InChIKeyXTYRRQNZCAIXQK-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.23
Rot. Bonds2

About 3,3-diphenyl-1,4,6,9-tetraoxa-5-phosphoniaspiro[4.4]nonan-2-one

3,3-diphenyl-1,4,6,9-tetraoxa-5-phosphoniaspiro[4.4]nonan-2-one (PubChem CID 23413662) has the molecular formula C16H14O5P+ and a molecular weight of 317.26 g/mol. Its IUPAC name is 3,3-diphenyl-1,4,6,9-tetraoxa-5-phosphoniaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name3,3-diphenyl-1,4,6,9-tetraoxa-5-phosphoniaspiro[4.4]nonan-2-one
PubChem CID23413662
Molecular FormulaC16H14O5P+
Molecular Weight317.26 g/mol
Exact Mass317.06
IUPAC Name3,3-diphenyl-1,4,6,9-tetraoxa-5-phosphoniaspiro[4.4]nonan-2-one
SMILESO=C1O[P+]2(OCCO2)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O5P/c17-15-16(13-7-3-1-4-8-13,14-9-5-2-6-10-14)21-22(20-15)18-11-12-19-22/h1-10H,11-12H2/q+1
InChIKeyXTYRRQNZCAIXQK-UHFFFAOYSA-N
XLogP3.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-diphenylfuran-3-one
CID 154310558
3-methyl-3-phenyloxolan-2-one
CID 15937425
5-oxido-3,3,8,8-tetraphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nonane-2,7-dione
CID 5256778
3,4-diiodo-5,5-diphenylfuran-2-one
CID 139257538
4-methyl-3,3-diphenyloxetan-2-one
CID 87128562
2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane
CID 12934420
3-phenoxy-3-phenyloxetan-2-one
CID 150574361
2,2-diphenyl-3H-pyran-4-one
CID 72942613
bis(2-phenyl-1,3-dioxan-2-yl)methanone
CID 175026730
(3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one
CID 101368746
chloro-(4-chloro-2,2,5,5-tetraphenylfuran-3-yl)mercury
CID 165357424
(3aS,5aR)-3a-phenyl-3,4,5a,6-tetrahydro-2H-furo[3,4-g][1]benzofuran-5,8-dione
CID 11242675

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-1,4,6,9-tetraoxa-5-phosphoniaspiro[4.4]nonan-2-one?
The IUPAC name of 3,3-diphenyl-1,4,6,9-tetraoxa-5-phosphoniaspiro[4.4]nonan-2-one (CID 23413662) is 3,3-diphenyl-1,4,6,9-tetraoxa-5-phosphoniaspiro[4.4]nonan-2-one.
What is the SMILES notation for 3,3-diphenyl-1,4,6,9-tetraoxa-5-phosphoniaspiro[4.4]nonan-2-one?
The canonical SMILES for 3,3-diphenyl-1,4,6,9-tetraoxa-5-phosphoniaspiro[4.4]nonan-2-one is O=C1O[P+]2(OCCO2)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-1,4,6,9-tetraoxa-5-phosphoniaspiro[4.4]nonan-2-one?
The InChIKey is XTYRRQNZCAIXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5P/c17-15-16(13-7-3-1-4-8-13,14-9-5-2-6-10-14)21-22(20-15)18-11-12-19-22/h1-10H,11-12H2/q+1.
What are the key properties of 3,3-diphenyl-1,4,6,9-tetraoxa-5-phosphoniaspiro[4.4]nonan-2-one?
3,3-diphenyl-1,4,6,9-tetraoxa-5-phosphoniaspiro[4.4]nonan-2-one has a molecular weight of 317.26 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-1,4,6,9-tetraoxa-5-phosphoniaspiro[4.4]nonan-2-one is sourced from PubChem (CID 23413662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).