(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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Related Compounds

tris[[methyl(2-methylpropyl)phosphoryl]oxy]alumane
CID 176884398
sodium methyl(2-methylpropyl)phosphinate
CID 141477458
2-hydroperoxy-4-methylpentan-2-ol
CID 71403979
bis(2-methylpropyl)phosphinic acid
CID 10233207
2-dimethylphosphoryloxy-1,1,1-trifluoropropane
CID 87666896
1-[tert-butyl(chloro)phosphoryl]-2-methylpropane
CID 71563447
methoxy(2-methylpropyl)phosphinic acid
CID 54548928
bis(2,4-dimethylpentan-2-yl) carbonate
CID 87132187
2-dimethylphosphoryloxypropane
CID 12572720
hydroxy-methyl-methylidene-(2-methylpropyl)-λ5-phosphane
CID 58584280
[(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid
CID 7167688
magnesium 2,6-dimethylheptan-4-yl phosphate
CID 172766773

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).