2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane

C12H26O4P2 — CID 23420038

IUPAC2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane
SMILESCP1OCC(C)(C)COP(C)OCC(C)(C)CO1
InChIInChI=1S/C12H26O4P2/c1-11(2)7-13-17(5)15-9-12(3,4)10-16-18(6)14-8-11/h7-10H2,1-6H3
InChIKeyTYMBTJFWYWNAOQ-UHFFFAOYSA-N
MW296.28 g/mol
LogP4.00
Rot. Bonds

About 2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane

2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane (PubChem CID 23420038) has the molecular formula C12H26O4P2 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane.

Molecular Properties

Compound Name2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane
PubChem CID23420038
Molecular FormulaC12H26O4P2
Molecular Weight296.28 g/mol
Exact Mass296.13
IUPAC Name2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane
SMILESCP1OCC(C)(C)COP(C)OCC(C)(C)CO1
InChIInChI=1S/C12H26O4P2/c1-11(2)7-13-17(5)15-9-12(3,4)10-16-18(6)14-8-11/h7-10H2,1-6H3
InChIKeyTYMBTJFWYWNAOQ-UHFFFAOYSA-N
XLogP4.00
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane?
The IUPAC name of 2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane (CID 23420038) is 2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane.
What is the SMILES notation for 2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane?
The canonical SMILES for 2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane is CP1OCC(C)(C)COP(C)OCC(C)(C)CO1.
What is the InChIKey of 2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane?
The InChIKey is TYMBTJFWYWNAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4P2/c1-11(2)7-13-17(5)15-9-12(3,4)10-16-18(6)14-8-11/h7-10H2,1-6H3.
What are the key properties of 2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane?
2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane has a molecular weight of 296.28 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,8,11,11-hexamethyl-1,3,7,9-tetraoxa-2,8-diphosphacyclododecane is sourced from PubChem (CID 23420038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).