2-hydroxyethyl dimethyl phosphate

C4H11O5P — CID 14840640

IUPAC2-hydroxyethyl dimethyl phosphate
SMILESCOP(=O)(OC)OCCO
InChIInChI=1S/C4H11O5P/c1-7-10(6,8-2)9-4-3-5/h5H,3-4H2,1-2H3
InChIKeyOPNGLLVUIOOVHK-UHFFFAOYSA-N
MW170.10 g/mol
LogP0.40
Rot. Bonds5

About 2-hydroxyethyl dimethyl phosphate

2-hydroxyethyl dimethyl phosphate (PubChem CID 14840640) has the molecular formula C4H11O5P and a molecular weight of 170.10 g/mol. Its IUPAC name is 2-hydroxyethyl dimethyl phosphate.

Molecular Properties

Compound Name2-hydroxyethyl dimethyl phosphate
PubChem CID14840640
Molecular FormulaC4H11O5P
Molecular Weight170.10 g/mol
Exact Mass170.03
IUPAC Name2-hydroxyethyl dimethyl phosphate
SMILESCOP(=O)(OC)OCCO
InChIInChI=1S/C4H11O5P/c1-7-10(6,8-2)9-4-3-5/h5H,3-4H2,1-2H3
InChIKeyOPNGLLVUIOOVHK-UHFFFAOYSA-N
XLogP0.40
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.10
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl dimethyl phosphate?
The IUPAC name of 2-hydroxyethyl dimethyl phosphate (CID 14840640) is 2-hydroxyethyl dimethyl phosphate.
What is the SMILES notation for 2-hydroxyethyl dimethyl phosphate?
The canonical SMILES for 2-hydroxyethyl dimethyl phosphate is COP(=O)(OC)OCCO.
What is the InChIKey of 2-hydroxyethyl dimethyl phosphate?
The InChIKey is OPNGLLVUIOOVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O5P/c1-7-10(6,8-2)9-4-3-5/h5H,3-4H2,1-2H3.
What are the key properties of 2-hydroxyethyl dimethyl phosphate?
2-hydroxyethyl dimethyl phosphate has a molecular weight of 170.10 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl dimethyl phosphate is sourced from PubChem (CID 14840640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).