hydroxy dimethyl phosphate

C2H7O5P — CID 126582959

IUPAChydroxy dimethyl phosphate
SMILESCOP(=O)(OC)OO
InChIInChI=1S/C2H7O5P/c1-5-8(4,6-2)7-3/h3H,1-2H3
InChIKeyBPROFTZVDMGJDH-UHFFFAOYSA-N
MW142.05 g/mol
LogP0.88
Rot. Bonds3

About hydroxy dimethyl phosphate

hydroxy dimethyl phosphate (PubChem CID 126582959) has the molecular formula C2H7O5P and a molecular weight of 142.05 g/mol. Its IUPAC name is hydroxy dimethyl phosphate.

Molecular Properties

Compound Namehydroxy dimethyl phosphate
PubChem CID126582959
Molecular FormulaC2H7O5P
Molecular Weight142.05 g/mol
Exact Mass142.00
IUPAC Namehydroxy dimethyl phosphate
SMILESCOP(=O)(OC)OO
InChIInChI=1S/C2H7O5P/c1-5-8(4,6-2)7-3/h3H,1-2H3
InChIKeyBPROFTZVDMGJDH-UHFFFAOYSA-N
XLogP0.88
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.05
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy dimethyl phosphate?
The IUPAC name of hydroxy dimethyl phosphate (CID 126582959) is hydroxy dimethyl phosphate.
What is the SMILES notation for hydroxy dimethyl phosphate?
The canonical SMILES for hydroxy dimethyl phosphate is COP(=O)(OC)OO.
What is the InChIKey of hydroxy dimethyl phosphate?
The InChIKey is BPROFTZVDMGJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O5P/c1-5-8(4,6-2)7-3/h3H,1-2H3.
What are the key properties of hydroxy dimethyl phosphate?
hydroxy dimethyl phosphate has a molecular weight of 142.05 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy dimethyl phosphate is sourced from PubChem (CID 126582959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).