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

C11H22O8P2 — CID 22165779

IUPAC3,9-bis(2-methoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCOCCOP1OCC2(CO1)COP(OCCOC)OC2
InChIInChI=1S/C11H22O8P2/c1-12-3-5-14-20-16-7-11(8-17-20)9-18-21(19-10-11)15-6-4-13-2/h3-10H2,1-2H3
InChIKeyNSWMLDMVQMFFMP-UHFFFAOYSA-N
MW344.24 g/mol
LogP1.85
Rot. Bonds8

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

3,9-bis(2-methoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (PubChem CID 22165779) has the molecular formula C11H22O8P2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 3,9-bis(2-methoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-bis(2-methoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
PubChem CID22165779
Molecular FormulaC11H22O8P2
Molecular Weight344.24 g/mol
Exact Mass344.08
IUPAC Name3,9-bis(2-methoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCOCCOP1OCC2(CO1)COP(OCCOC)OC2
InChIInChI=1S/C11H22O8P2/c1-12-3-5-14-20-16-7-11(8-17-20)9-18-21(19-10-11)15-6-4-13-2/h3-10H2,1-2H3
InChIKeyNSWMLDMVQMFFMP-UHFFFAOYSA-N
XLogP1.85
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,9-bis(2-methoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The IUPAC name of 3,9-bis(2-methoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (CID 22165779) is 3,9-bis(2-methoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.
What is the SMILES notation for 3,9-bis(2-methoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The canonical SMILES for 3,9-bis(2-methoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is COCCOP1OCC2(CO1)COP(OCCOC)OC2.
What is the InChIKey of 3,9-bis(2-methoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The InChIKey is NSWMLDMVQMFFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O8P2/c1-12-3-5-14-20-16-7-11(8-17-20)9-18-21(19-10-11)15-6-4-13-2/h3-10H2,1-2H3.
What are the key properties of 3,9-bis(2-methoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
3,9-bis(2-methoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane has a molecular weight of 344.24 g/mol, XLogP of 1.85, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis(2-methoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is sourced from PubChem (CID 22165779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).