bis(2,2-dimethylpropyl) hydrogen phosphate

C10H23O4P — CID 12706142

IUPACbis(2,2-dimethylpropyl) hydrogen phosphate
SMILESCC(C)(C)COP(=O)(O)OCC(C)(C)C
InChIInChI=1S/C10H23O4P/c1-9(2,3)7-13-15(11,12)14-8-10(4,5)6/h7-8H2,1-6H3,(H,11,12)
InChIKeyBTQDUXYPJVXKKG-UHFFFAOYSA-N
MW238.26 g/mol
LogP3.21
Rot. Bonds4

About bis(2,2-dimethylpropyl) hydrogen phosphate

bis(2,2-dimethylpropyl) hydrogen phosphate (PubChem CID 12706142) has the molecular formula C10H23O4P and a molecular weight of 238.26 g/mol. Its IUPAC name is bis(2,2-dimethylpropyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(2,2-dimethylpropyl) hydrogen phosphate
PubChem CID12706142
Molecular FormulaC10H23O4P
Molecular Weight238.26 g/mol
Exact Mass238.13
IUPAC Namebis(2,2-dimethylpropyl) hydrogen phosphate
SMILESCC(C)(C)COP(=O)(O)OCC(C)(C)C
InChIInChI=1S/C10H23O4P/c1-9(2,3)7-13-15(11,12)14-8-10(4,5)6/h7-8H2,1-6H3,(H,11,12)
InChIKeyBTQDUXYPJVXKKG-UHFFFAOYSA-N
XLogP3.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
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-dimethylpropyl) hydrogen phosphate?
The IUPAC name of bis(2,2-dimethylpropyl) hydrogen phosphate (CID 12706142) is bis(2,2-dimethylpropyl) hydrogen phosphate.
What is the SMILES notation for bis(2,2-dimethylpropyl) hydrogen phosphate?
The canonical SMILES for bis(2,2-dimethylpropyl) hydrogen phosphate is CC(C)(C)COP(=O)(O)OCC(C)(C)C.
What is the InChIKey of bis(2,2-dimethylpropyl) hydrogen phosphate?
The InChIKey is BTQDUXYPJVXKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O4P/c1-9(2,3)7-13-15(11,12)14-8-10(4,5)6/h7-8H2,1-6H3,(H,11,12).
What are the key properties of bis(2,2-dimethylpropyl) hydrogen phosphate?
bis(2,2-dimethylpropyl) hydrogen phosphate has a molecular weight of 238.26 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropyl) hydrogen phosphate is sourced from PubChem (CID 12706142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).