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

C7H14O5P2 — CID 88915075

IUPAC3-ethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCCOP1OCC2(COPOC2)CO1
InChIInChI=1S/C7H14O5P2/c1-2-10-14-11-5-7(6-12-14)3-8-13-9-4-7/h13H,2-6H2,1H3
InChIKeyJFUXWZJPCZDYAA-UHFFFAOYSA-N
MW240.13 g/mol
LogP1.84
Rot. Bonds2

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

3-ethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (PubChem CID 88915075) has the molecular formula C7H14O5P2 and a molecular weight of 240.13 g/mol. Its IUPAC name is 3-ethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
PubChem CID88915075
Molecular FormulaC7H14O5P2
Molecular Weight240.13 g/mol
Exact Mass240.03
IUPAC Name3-ethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCCOP1OCC2(COPOC2)CO1
InChIInChI=1S/C7H14O5P2/c1-2-10-14-11-5-7(6-12-14)3-8-13-9-4-7/h13H,2-6H2,1H3
InChIKeyJFUXWZJPCZDYAA-UHFFFAOYSA-N
XLogP1.84
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 51.84
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-ethoxy-1,3,2-dioxaphosphinane
CID 13143342
3-hexadecoxy-9-methoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 70884461
3,9-bis(2-ethoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 21491468
2-butoxy-5,5-dimethyl-1,3,2-dioxaphosphinane
CID 549749
2-ethoxy-5,5-dimethyl-4-propan-2-yl-1,3,2-dioxaphosphinane
CID 12730263
2-[2,2-bis(chloromethyl)-3-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]propoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane
CID 143058585
5,5-diethyl-1,3,2-dioxaphosphinane
CID 89071560
2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2-dioxaphosphinane
CID 591931
3,9-bis[(2-butan-2-ylphenyl)methoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 87909815
5,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)-1,3,2-dioxaphosphinane
CID 142714949
(3-dimethoxyphosphoryloxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-9-yl) dimethyl phosphate
CID 164758612
3,9-bis[2,6-bis(2,2-dimethylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 130297263

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The IUPAC name of 3-ethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (CID 88915075) is 3-ethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.
What is the SMILES notation for 3-ethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The canonical SMILES for 3-ethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is CCOP1OCC2(COPOC2)CO1.
What is the InChIKey of 3-ethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The InChIKey is JFUXWZJPCZDYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5P2/c1-2-10-14-11-5-7(6-12-14)3-8-13-9-4-7/h13H,2-6H2,1H3.
What are the key properties of 3-ethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
3-ethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane has a molecular weight of 240.13 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is sourced from PubChem (CID 88915075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).