bis(2,2-dimethylpropoxy)-oxophosphanium

C10H22O3P+ — CID 11310601

IUPACbis(2,2-dimethylpropoxy)-oxophosphanium
SMILESCC(C)(C)CO[P+](=O)OCC(C)(C)C
InChIInChI=1S/C10H22O3P/c1-9(2,3)7-12-14(11)13-8-10(4,5)6/h7-8H2,1-6H3/q+1
InChIKeyJHVGCAWQXXUXPC-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.77
Rot. Bonds4

About bis(2,2-dimethylpropoxy)-oxophosphanium

bis(2,2-dimethylpropoxy)-oxophosphanium (PubChem CID 11310601) has the molecular formula C10H22O3P+ and a molecular weight of 221.26 g/mol. Its IUPAC name is bis(2,2-dimethylpropoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2,2-dimethylpropoxy)-oxophosphanium
PubChem CID11310601
Molecular FormulaC10H22O3P+
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Namebis(2,2-dimethylpropoxy)-oxophosphanium
SMILESCC(C)(C)CO[P+](=O)OCC(C)(C)C
InChIInChI=1S/C10H22O3P/c1-9(2,3)7-12-14(11)13-8-10(4,5)6/h7-8H2,1-6H3/q+1
InChIKeyJHVGCAWQXXUXPC-UHFFFAOYSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropoxy)-oxophosphanium?
The IUPAC name of bis(2,2-dimethylpropoxy)-oxophosphanium (CID 11310601) is bis(2,2-dimethylpropoxy)-oxophosphanium.
What is the SMILES notation for bis(2,2-dimethylpropoxy)-oxophosphanium?
The canonical SMILES for bis(2,2-dimethylpropoxy)-oxophosphanium is CC(C)(C)CO[P+](=O)OCC(C)(C)C.
What is the InChIKey of bis(2,2-dimethylpropoxy)-oxophosphanium?
The InChIKey is JHVGCAWQXXUXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3P/c1-9(2,3)7-12-14(11)13-8-10(4,5)6/h7-8H2,1-6H3/q+1.
What are the key properties of bis(2,2-dimethylpropoxy)-oxophosphanium?
bis(2,2-dimethylpropoxy)-oxophosphanium has a molecular weight of 221.26 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropoxy)-oxophosphanium is sourced from PubChem (CID 11310601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).