2,2,4,4,6,6,8,8-octakis(prop-2-enoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene

C24H40N4O8P4 — CID 102266447

IUPAC2,2,4,4,6,6,8,8-octakis(prop-2-enoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
SMILESC=CCOP1(OCC=C)=NP(OCC=C)(OCC=C)=NP(OCC=C)(OCC=C)=NP(OCC=C)(OCC=C)=N1
InChIInChI=1S/C24H40N4O8P4/c1-9-17-29-37(30-18-10-2)25-38(31-19-11-3,32-20-12-4)27-40(35-23-15-7,36-24-16-8)28-39(26-37,33-21-13-5)34-22-14-6/h9-16H,1-8,17-24H2
InChIKeyFVIIHPNHUGORQS-UHFFFAOYSA-N
MW636.50 g/mol
LogP9.41
Rot. Bonds24

About 2,2,4,4,6,6,8,8-octakis(prop-2-enoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene

2,2,4,4,6,6,8,8-octakis(prop-2-enoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene (PubChem CID 102266447) has the molecular formula C24H40N4O8P4 and a molecular weight of 636.50 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8-octakis(prop-2-enoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8-octakis(prop-2-enoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
PubChem CID102266447
Molecular FormulaC24H40N4O8P4
Molecular Weight636.50 g/mol
Exact Mass636.18
IUPAC Name2,2,4,4,6,6,8,8-octakis(prop-2-enoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
SMILESC=CCOP1(OCC=C)=NP(OCC=C)(OCC=C)=NP(OCC=C)(OCC=C)=NP(OCC=C)(OCC=C)=N1
InChIInChI=1S/C24H40N4O8P4/c1-9-17-29-37(30-18-10-2)25-38(31-19-11-3,32-20-12-4)27-40(35-23-15-7,36-24-16-8)28-39(26-37,33-21-13-5)34-22-14-6/h9-16H,1-8,17-24H2
InChIKeyFVIIHPNHUGORQS-UHFFFAOYSA-N
XLogP9.41
TPSA123.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500636.50
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2,2,4,4,6,6,8,8-octakis(prop-2-enoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6,8,8-octakis(prop-2-enoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?
The IUPAC name of 2,2,4,4,6,6,8,8-octakis(prop-2-enoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene (CID 102266447) is 2,2,4,4,6,6,8,8-octakis(prop-2-enoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene.
What is the SMILES notation for 2,2,4,4,6,6,8,8-octakis(prop-2-enoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?
The canonical SMILES for 2,2,4,4,6,6,8,8-octakis(prop-2-enoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene is C=CCOP1(OCC=C)=NP(OCC=C)(OCC=C)=NP(OCC=C)(OCC=C)=NP(OCC=C)(OCC=C)=N1.
What is the InChIKey of 2,2,4,4,6,6,8,8-octakis(prop-2-enoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?
The InChIKey is FVIIHPNHUGORQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O8P4/c1-9-17-29-37(30-18-10-2)25-38(31-19-11-3,32-20-12-4)27-40(35-23-15-7,36-24-16-8)28-39(26-37,33-21-13-5)34-22-14-6/h9-16H,1-8,17-24H2.
What are the key properties of 2,2,4,4,6,6,8,8-octakis(prop-2-enoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene?
2,2,4,4,6,6,8,8-octakis(prop-2-enoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene has a molecular weight of 636.50 g/mol, XLogP of 9.41, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8-octakis(prop-2-enoxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene is sourced from PubChem (CID 102266447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).