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

C17H34O8P2 — CID 22165748

IUPAC3,9-bis(2-butoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCCCCOCCOP1OCC2(CO1)COP(OCCOCCCC)OC2
InChIInChI=1S/C17H34O8P2/c1-3-5-7-18-9-11-20-26-22-13-17(14-23-26)15-24-27(25-16-17)21-12-10-19-8-6-4-2/h3-16H2,1-2H3
InChIKeyAXBMOUFQZFEUSM-UHFFFAOYSA-N
MW428.40 g/mol
LogP4.19
Rot. Bonds14

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

3,9-bis(2-butoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (PubChem CID 22165748) has the molecular formula C17H34O8P2 and a molecular weight of 428.40 g/mol. Its IUPAC name is 3,9-bis(2-butoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-bis(2-butoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
PubChem CID22165748
Molecular FormulaC17H34O8P2
Molecular Weight428.40 g/mol
Exact Mass428.17
IUPAC Name3,9-bis(2-butoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCCCCOCCOP1OCC2(CO1)COP(OCCOCCCC)OC2
InChIInChI=1S/C17H34O8P2/c1-3-5-7-18-9-11-20-26-22-13-17(14-23-26)15-24-27(25-16-17)21-12-10-19-8-6-4-2/h3-16H2,1-2H3
InChIKeyAXBMOUFQZFEUSM-UHFFFAOYSA-N
XLogP4.19
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 54.19
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-butoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The IUPAC name of 3,9-bis(2-butoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (CID 22165748) is 3,9-bis(2-butoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.
What is the SMILES notation for 3,9-bis(2-butoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The canonical SMILES for 3,9-bis(2-butoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is CCCCOCCOP1OCC2(CO1)COP(OCCOCCCC)OC2.
What is the InChIKey of 3,9-bis(2-butoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The InChIKey is AXBMOUFQZFEUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O8P2/c1-3-5-7-18-9-11-20-26-22-13-17(14-23-26)15-24-27(25-16-17)21-12-10-19-8-6-4-2/h3-16H2,1-2H3.
What are the key properties of 3,9-bis(2-butoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
3,9-bis(2-butoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane has a molecular weight of 428.40 g/mol, XLogP of 4.19, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis(2-butoxyethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is sourced from PubChem (CID 22165748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).