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

C8H16O6P2 — CID 21136343

IUPAC3-ethoxy-9-methoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCCOP1OCC2(COP(OC)OC2)CO1
InChIInChI=1S/C8H16O6P2/c1-3-10-16-13-6-8(7-14-16)4-11-15(9-2)12-5-8/h3-7H2,1-2H3
InChIKeyONJRNYKISXEVQD-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.20
Rot. Bonds3

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

3-ethoxy-9-methoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (PubChem CID 21136343) has the molecular formula C8H16O6P2 and a molecular weight of 270.16 g/mol. Its IUPAC name is 3-ethoxy-9-methoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethoxy-9-methoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
PubChem CID21136343
Molecular FormulaC8H16O6P2
Molecular Weight270.16 g/mol
Exact Mass270.04
IUPAC Name3-ethoxy-9-methoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCCOP1OCC2(COP(OC)OC2)CO1
InChIInChI=1S/C8H16O6P2/c1-3-10-16-13-6-8(7-14-16)4-11-15(9-2)12-5-8/h3-7H2,1-2H3
InChIKeyONJRNYKISXEVQD-UHFFFAOYSA-N
XLogP2.20
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,3,2-Dioxaphosphorinane, 2,2'-oxybis(5,5-dimethyl-, 2,2'-disulfide
CID 77714
2,2'-Oxybis(5,5-dimethyl-1,3,2-dioxaphosphorinane) 2,2'-dioxide
CID 77715
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-dimethoxy-
CID 81535
1,3,2-Dioxaphosphorinane, 2,2'-((2,2-dimethyl-1,3-propanediyl)bis(oxy))bis(5,5-dimethyl-
CID 101091
2-[(5,5-Dimethyl-2-oxo-1,3,2lambda~5~-dioxaphosphinan-2-yl)methyl]-5,5-dimethyl-1,3,2lambda~5~-dioxaphosphinan-2-one
CID 2778008
2,2'-Bi-1,3,2-dioxaphosphorinane, 5,5,5',5'-tetramethyl-, 2,2'-dioxide
CID 549736
1,3-Propanediol, 2,2-dimethyl-, bis(cyclic 2,2-dimethyltrimethylene phosphorothionate
CID 6432582
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-diethoxy-
CID 81536
1,3,2-Dioxaphosphorinane, 2,2'-[(2,2-dimethyl-1,3-propanediyl)bis(oxy)]bis[5,5-dimethyl-, 2,2'-dioxide
CID 116956
2-[(5,5-Dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 3832089
Bis(5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphorinan-2-yl)disulfide
CID 13221629
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5,5]undecane
CID 19026043

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-9-methoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The IUPAC name of 3-ethoxy-9-methoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (CID 21136343) is 3-ethoxy-9-methoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.
What is the SMILES notation for 3-ethoxy-9-methoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The canonical SMILES for 3-ethoxy-9-methoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is CCOP1OCC2(COP(OC)OC2)CO1.
What is the InChIKey of 3-ethoxy-9-methoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The InChIKey is ONJRNYKISXEVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O6P2/c1-3-10-16-13-6-8(7-14-16)4-11-15(9-2)12-5-8/h3-7H2,1-2H3.
What are the key properties of 3-ethoxy-9-methoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
3-ethoxy-9-methoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane has a molecular weight of 270.16 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-9-methoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is sourced from PubChem (CID 21136343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).