3,9-bis[2-(2-methoxyethoxy)ethoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

C15H30O10P2 — CID 22165761

IUPAC3,9-bis[2-(2-methoxyethoxy)ethoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCOCCOCCOP1OCC2(CO1)COP(OCCOCCOC)OC2
InChIInChI=1S/C15H30O10P2/c1-16-3-5-18-7-9-20-26-22-11-15(12-23-26)13-24-27(25-14-15)21-10-8-19-6-4-17-2/h3-14H2,1-2H3
InChIKeyCRNIWLWTNIFNJY-UHFFFAOYSA-N
MW432.34 g/mol
LogP1.88
Rot. Bonds14

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

3,9-bis[2-(2-methoxyethoxy)ethoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (PubChem CID 22165761) has the molecular formula C15H30O10P2 and a molecular weight of 432.34 g/mol. Its IUPAC name is 3,9-bis[2-(2-methoxyethoxy)ethoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-bis[2-(2-methoxyethoxy)ethoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
PubChem CID22165761
Molecular FormulaC15H30O10P2
Molecular Weight432.34 g/mol
Exact Mass432.13
IUPAC Name3,9-bis[2-(2-methoxyethoxy)ethoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCOCCOCCOP1OCC2(CO1)COP(OCCOCCOC)OC2
InChIInChI=1S/C15H30O10P2/c1-16-3-5-18-7-9-20-26-22-11-15(12-23-26)13-24-27(25-14-15)21-10-8-19-6-4-17-2/h3-14H2,1-2H3
InChIKeyCRNIWLWTNIFNJY-UHFFFAOYSA-N
XLogP1.88
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1,3,2-Dioxaphosphorinane, 2,2'-((2,2-dimethyl-1,3-propanediyl)bis(oxy))bis(5,5-dimethyl-
CID 101091
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-diethoxy-
CID 81536
2-[(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane
CID 13951319
3,9-Bis(2-(2-ethoxyethoxy)ethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro(5.5)undecane 3,9-dioxide
CID 44145727
1,3,2-Dioxaphosphorinane, 2-(2-methoxyethoxy)-5,5-dimethyl-
CID 591931
2-[2-[2-[2-[(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]ethoxy]ethoxy]ethoxy]-5,5-dimethyl-1,3,2-dioxaphosphinane
CID 20429669
3-Ethoxy-9-methoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 21136343
3,9-Bis(2-ethoxyethyl)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 21491468
3,9-Bis[2-(2-methoxyethoxy)ethyl]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 21491474
3,9-Bis(2-butoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 22165748
3,9-Bis(2-methoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 22165779
3,9-Bis(2-ethoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 22165801

Frequently Asked Questions

What is the IUPAC name of 3,9-bis[2-(2-methoxyethoxy)ethoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The IUPAC name of 3,9-bis[2-(2-methoxyethoxy)ethoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (CID 22165761) is 3,9-bis[2-(2-methoxyethoxy)ethoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.
What is the SMILES notation for 3,9-bis[2-(2-methoxyethoxy)ethoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The canonical SMILES for 3,9-bis[2-(2-methoxyethoxy)ethoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is COCCOCCOP1OCC2(CO1)COP(OCCOCCOC)OC2.
What is the InChIKey of 3,9-bis[2-(2-methoxyethoxy)ethoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The InChIKey is CRNIWLWTNIFNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O10P2/c1-16-3-5-18-7-9-20-26-22-11-15(12-23-26)13-24-27(25-14-15)21-10-8-19-6-4-17-2/h3-14H2,1-2H3.
What are the key properties of 3,9-bis[2-(2-methoxyethoxy)ethoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
3,9-bis[2-(2-methoxyethoxy)ethoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane has a molecular weight of 432.34 g/mol, XLogP of 1.88, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis[2-(2-methoxyethoxy)ethoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is sourced from PubChem (CID 22165761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).