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

C13H26O8P2 — CID 22165801

IUPAC3,9-bis(2-ethoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCCOCCOP1OCC2(CO1)COP(OCCOCC)OC2
InChIInChI=1S/C13H26O8P2/c1-3-14-5-7-16-22-18-9-13(10-19-22)11-20-23(21-12-13)17-8-6-15-4-2/h3-12H2,1-2H3
InChIKeyVICAMSHCWZWSAH-UHFFFAOYSA-N
MW372.29 g/mol
LogP2.63
Rot. Bonds10

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

3,9-bis(2-ethoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (PubChem CID 22165801) has the molecular formula C13H26O8P2 and a molecular weight of 372.29 g/mol. Its IUPAC name is 3,9-bis(2-ethoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-bis(2-ethoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
PubChem CID22165801
Molecular FormulaC13H26O8P2
Molecular Weight372.29 g/mol
Exact Mass372.11
IUPAC Name3,9-bis(2-ethoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCCOCCOP1OCC2(CO1)COP(OCCOCC)OC2
InChIInChI=1S/C13H26O8P2/c1-3-14-5-7-16-22-18-9-13(10-19-22)11-20-23(21-12-13)17-8-6-15-4-2/h3-12H2,1-2H3
InChIKeyVICAMSHCWZWSAH-UHFFFAOYSA-N
XLogP2.63
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 52.63
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-ethoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The IUPAC name of 3,9-bis(2-ethoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (CID 22165801) is 3,9-bis(2-ethoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.
What is the SMILES notation for 3,9-bis(2-ethoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The canonical SMILES for 3,9-bis(2-ethoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is CCOCCOP1OCC2(CO1)COP(OCCOCC)OC2.
What is the InChIKey of 3,9-bis(2-ethoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The InChIKey is VICAMSHCWZWSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O8P2/c1-3-14-5-7-16-22-18-9-13(10-19-22)11-20-23(21-12-13)17-8-6-15-4-2/h3-12H2,1-2H3.
What are the key properties of 3,9-bis(2-ethoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
3,9-bis(2-ethoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane has a molecular weight of 372.29 g/mol, XLogP of 2.63, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis(2-ethoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is sourced from PubChem (CID 22165801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).