bis(2-hydroxyethyl) methyl phosphate

C5H13O6P — CID 22007201

IUPACbis(2-hydroxyethyl) methyl phosphate
SMILESCOP(=O)(OCCO)OCCO
InChIInChI=1S/C5H13O6P/c1-9-12(8,10-4-2-6)11-5-3-7/h6-7H,2-5H2,1H3
InChIKeyAYGAVPDKAYHCFL-UHFFFAOYSA-N
MW200.13 g/mol
LogP-0.24
Rot. Bonds7

About bis(2-hydroxyethyl) methyl phosphate

bis(2-hydroxyethyl) methyl phosphate (PubChem CID 22007201) has the molecular formula C5H13O6P and a molecular weight of 200.13 g/mol. Its IUPAC name is bis(2-hydroxyethyl) methyl phosphate.

Molecular Properties

Compound Namebis(2-hydroxyethyl) methyl phosphate
PubChem CID22007201
Molecular FormulaC5H13O6P
Molecular Weight200.13 g/mol
Exact Mass200.04
IUPAC Namebis(2-hydroxyethyl) methyl phosphate
SMILESCOP(=O)(OCCO)OCCO
InChIInChI=1S/C5H13O6P/c1-9-12(8,10-4-2-6)11-5-3-7/h6-7H,2-5H2,1H3
InChIKeyAYGAVPDKAYHCFL-UHFFFAOYSA-N
XLogP-0.24
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-hydroxyethyl) methyl phosphate?
The IUPAC name of bis(2-hydroxyethyl) methyl phosphate (CID 22007201) is bis(2-hydroxyethyl) methyl phosphate.
What is the SMILES notation for bis(2-hydroxyethyl) methyl phosphate?
The canonical SMILES for bis(2-hydroxyethyl) methyl phosphate is COP(=O)(OCCO)OCCO.
What is the InChIKey of bis(2-hydroxyethyl) methyl phosphate?
The InChIKey is AYGAVPDKAYHCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O6P/c1-9-12(8,10-4-2-6)11-5-3-7/h6-7H,2-5H2,1H3.
What are the key properties of bis(2-hydroxyethyl) methyl phosphate?
bis(2-hydroxyethyl) methyl phosphate has a molecular weight of 200.13 g/mol, XLogP of -0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl) methyl phosphate is sourced from PubChem (CID 22007201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).