4,7,13,16,21,24-hexaoxa-1λ5,10λ5-diphosphabicyclo[8.8.8]hexacosane 1,10-dioxide

C18H36O8P2 — CID 12037889

IUPAC4,7,13,16,21,24-hexaoxa-1λ5,10λ5-diphosphabicyclo[8.8.8]hexacosane 1,10-dioxide
SMILESO=P12CCOCCOCCP(=O)(CCOCCOCC1)CCOCCOCC2
InChIInChI=1S/C18H36O8P2/c19-27-13-7-21-1-2-22-8-14-28(20,17-11-25-5-3-23-9-15-27)18-12-26-6-4-24-10-16-27/h1-18H2
InChIKeyDUQLQBWZGUWZFH-UHFFFAOYSA-N
MW442.43 g/mol
LogP1.84
Rot. Bonds

About 4,7,13,16,21,24-hexaoxa-1λ5,10λ5-diphosphabicyclo[8.8.8]hexacosane 1,10-dioxide

4,7,13,16,21,24-hexaoxa-1λ5,10λ5-diphosphabicyclo[8.8.8]hexacosane 1,10-dioxide (PubChem CID 12037889) has the molecular formula C18H36O8P2 and a molecular weight of 442.43 g/mol. Its IUPAC name is 4,7,13,16,21,24-hexaoxa-1λ5,10λ5-diphosphabicyclo[8.8.8]hexacosane 1,10-dioxide.

Molecular Properties

Compound Name4,7,13,16,21,24-hexaoxa-1λ5,10λ5-diphosphabicyclo[8.8.8]hexacosane 1,10-dioxide
PubChem CID12037889
Molecular FormulaC18H36O8P2
Molecular Weight442.43 g/mol
Exact Mass442.19
IUPAC Name4,7,13,16,21,24-hexaoxa-1λ5,10λ5-diphosphabicyclo[8.8.8]hexacosane 1,10-dioxide
SMILESO=P12CCOCCOCCP(=O)(CCOCCOCC1)CCOCCOCC2
InChIInChI=1S/C18H36O8P2/c19-27-13-7-21-1-2-22-8-14-28(20,17-11-25-5-3-23-9-15-27)18-12-26-6-4-24-10-16-27/h1-18H2
InChIKeyDUQLQBWZGUWZFH-UHFFFAOYSA-N
XLogP1.84
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,4-dioxane
CID 161483686
4-propan-2-yl-1,4λ5-oxaphosphinane 4-oxide
CID 58891721
argon;1,4-dioxane
CID 87641547
1,4-dioxane;stannane
CID 174822243
1,4-dioxane;silver
CID 157261770
4-phenyl-1,4lambda5-oxaphosphinane 4-oxide
CID 4134640
dilithium;hydride;1,4,7,10,13-pentaoxacyclopentadecane
CID 173287985
potassium;1,4-dioxane;hydroxide
CID 70357034
cyclobutane;1,4-dioxane
CID 160886837
1,4-dioxane;2-hydroxyacetic acid
CID 66633083
neon;oxirane
CID 175793141
CID 162223798
CID 162223798

Frequently Asked Questions

What is the IUPAC name of 4,7,13,16,21,24-hexaoxa-1λ5,10λ5-diphosphabicyclo[8.8.8]hexacosane 1,10-dioxide?
The IUPAC name of 4,7,13,16,21,24-hexaoxa-1λ5,10λ5-diphosphabicyclo[8.8.8]hexacosane 1,10-dioxide (CID 12037889) is 4,7,13,16,21,24-hexaoxa-1λ5,10λ5-diphosphabicyclo[8.8.8]hexacosane 1,10-dioxide.
What is the SMILES notation for 4,7,13,16,21,24-hexaoxa-1λ5,10λ5-diphosphabicyclo[8.8.8]hexacosane 1,10-dioxide?
The canonical SMILES for 4,7,13,16,21,24-hexaoxa-1λ5,10λ5-diphosphabicyclo[8.8.8]hexacosane 1,10-dioxide is O=P12CCOCCOCCP(=O)(CCOCCOCC1)CCOCCOCC2.
What is the InChIKey of 4,7,13,16,21,24-hexaoxa-1λ5,10λ5-diphosphabicyclo[8.8.8]hexacosane 1,10-dioxide?
The InChIKey is DUQLQBWZGUWZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O8P2/c19-27-13-7-21-1-2-22-8-14-28(20,17-11-25-5-3-23-9-15-27)18-12-26-6-4-24-10-16-27/h1-18H2.
What are the key properties of 4,7,13,16,21,24-hexaoxa-1λ5,10λ5-diphosphabicyclo[8.8.8]hexacosane 1,10-dioxide?
4,7,13,16,21,24-hexaoxa-1λ5,10λ5-diphosphabicyclo[8.8.8]hexacosane 1,10-dioxide has a molecular weight of 442.43 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,13,16,21,24-hexaoxa-1λ5,10λ5-diphosphabicyclo[8.8.8]hexacosane 1,10-dioxide is sourced from PubChem (CID 12037889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).