(4-dimethylphosphoryloxy-2,6-dimethylheptan-4-yl)oxy-oxophosphanium

C11H25O4P2+ — CID 123675463

IUPAC(4-dimethylphosphoryloxy-2,6-dimethylheptan-4-yl)oxy-oxophosphanium
SMILESCC(C)CC(CC(C)C)(O[PH+]=O)OP(C)(C)=O
InChIInChI=1S/C11H25O4P2/c1-9(2)7-11(14-16-12,8-10(3)4)15-17(5,6)13/h9-10,16H,7-8H2,1-6H3/q+1
InChIKeyZNZSWJOXNYKPNN-UHFFFAOYSA-N
MW283.26 g/mol
LogP4.28
Rot. Bonds8

About (4-dimethylphosphoryloxy-2,6-dimethylheptan-4-yl)oxy-oxophosphanium

(4-dimethylphosphoryloxy-2,6-dimethylheptan-4-yl)oxy-oxophosphanium (PubChem CID 123675463) has the molecular formula C11H25O4P2+ and a molecular weight of 283.26 g/mol. Its IUPAC name is (4-dimethylphosphoryloxy-2,6-dimethylheptan-4-yl)oxy-oxophosphanium.

Molecular Properties

Compound Name(4-dimethylphosphoryloxy-2,6-dimethylheptan-4-yl)oxy-oxophosphanium
PubChem CID123675463
Molecular FormulaC11H25O4P2+
Molecular Weight283.26 g/mol
Exact Mass283.12
IUPAC Name(4-dimethylphosphoryloxy-2,6-dimethylheptan-4-yl)oxy-oxophosphanium
SMILESCC(C)CC(CC(C)C)(O[PH+]=O)OP(C)(C)=O
InChIInChI=1S/C11H25O4P2/c1-9(2)7-11(14-16-12,8-10(3)4)15-17(5,6)13/h9-10,16H,7-8H2,1-6H3/q+1
InChIKeyZNZSWJOXNYKPNN-UHFFFAOYSA-N
XLogP4.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-dimethylphosphoryloxy-2,6-dimethylheptan-4-yl)oxy-oxophosphanium?
The IUPAC name of (4-dimethylphosphoryloxy-2,6-dimethylheptan-4-yl)oxy-oxophosphanium (CID 123675463) is (4-dimethylphosphoryloxy-2,6-dimethylheptan-4-yl)oxy-oxophosphanium.
What is the SMILES notation for (4-dimethylphosphoryloxy-2,6-dimethylheptan-4-yl)oxy-oxophosphanium?
The canonical SMILES for (4-dimethylphosphoryloxy-2,6-dimethylheptan-4-yl)oxy-oxophosphanium is CC(C)CC(CC(C)C)(O[PH+]=O)OP(C)(C)=O.
What is the InChIKey of (4-dimethylphosphoryloxy-2,6-dimethylheptan-4-yl)oxy-oxophosphanium?
The InChIKey is ZNZSWJOXNYKPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O4P2/c1-9(2)7-11(14-16-12,8-10(3)4)15-17(5,6)13/h9-10,16H,7-8H2,1-6H3/q+1.
What are the key properties of (4-dimethylphosphoryloxy-2,6-dimethylheptan-4-yl)oxy-oxophosphanium?
(4-dimethylphosphoryloxy-2,6-dimethylheptan-4-yl)oxy-oxophosphanium has a molecular weight of 283.26 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dimethylphosphoryloxy-2,6-dimethylheptan-4-yl)oxy-oxophosphanium is sourced from PubChem (CID 123675463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).