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

C15H30O8P2 — CID 21491474

IUPAC3,9-bis[2-(2-methoxyethoxy)ethyl]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCOCCOCCP1OCC2(CO1)COP(CCOCCOC)OC2
InChIInChI=1S/C15H30O8P2/c1-16-3-5-18-7-9-24-20-11-15(12-21-24)13-22-25(23-14-15)10-8-19-6-4-17-2/h3-14H2,1-2H3
InChIKeyFLTFEAKFLQJHAN-UHFFFAOYSA-N
MW400.35 g/mol
LogP2.02
Rot. Bonds12

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

3,9-bis[2-(2-methoxyethoxy)ethyl]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (PubChem CID 21491474) has the molecular formula C15H30O8P2 and a molecular weight of 400.35 g/mol. Its IUPAC name is 3,9-bis[2-(2-methoxyethoxy)ethyl]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-bis[2-(2-methoxyethoxy)ethyl]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
PubChem CID21491474
Molecular FormulaC15H30O8P2
Molecular Weight400.35 g/mol
Exact Mass400.14
IUPAC Name3,9-bis[2-(2-methoxyethoxy)ethyl]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCOCCOCCP1OCC2(CO1)COP(CCOCCOC)OC2
InChIInChI=1S/C15H30O8P2/c1-16-3-5-18-7-9-24-20-11-15(12-21-24)13-22-25(23-14-15)10-8-19-6-4-17-2/h3-14H2,1-2H3
InChIKeyFLTFEAKFLQJHAN-UHFFFAOYSA-N
XLogP2.02
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 52.02
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-(2-methoxyethoxy)ethyl]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The IUPAC name of 3,9-bis[2-(2-methoxyethoxy)ethyl]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (CID 21491474) is 3,9-bis[2-(2-methoxyethoxy)ethyl]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.
What is the SMILES notation for 3,9-bis[2-(2-methoxyethoxy)ethyl]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The canonical SMILES for 3,9-bis[2-(2-methoxyethoxy)ethyl]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is COCCOCCP1OCC2(CO1)COP(CCOCCOC)OC2.
What is the InChIKey of 3,9-bis[2-(2-methoxyethoxy)ethyl]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The InChIKey is FLTFEAKFLQJHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O8P2/c1-16-3-5-18-7-9-24-20-11-15(12-21-24)13-22-25(23-14-15)10-8-19-6-4-17-2/h3-14H2,1-2H3.
What are the key properties of 3,9-bis[2-(2-methoxyethoxy)ethyl]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
3,9-bis[2-(2-methoxyethoxy)ethyl]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane has a molecular weight of 400.35 g/mol, XLogP of 2.02, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis[2-(2-methoxyethoxy)ethyl]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is sourced from PubChem (CID 21491474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).