1-dimethylphosphoryloxyethanol

C4H11O3P — CID 90318044

IUPAC1-dimethylphosphoryloxyethanol
SMILESCC(O)OP(C)(C)=O
InChIInChI=1S/C4H11O3P/c1-4(5)7-8(2,3)6/h4-5H,1-3H3
InChIKeyUEFPXMNBAUTNNR-UHFFFAOYSA-N
MW138.10 g/mol
LogP0.88
Rot. Bonds2

About 1-dimethylphosphoryloxyethanol

1-dimethylphosphoryloxyethanol (PubChem CID 90318044) has the molecular formula C4H11O3P and a molecular weight of 138.10 g/mol. Its IUPAC name is 1-dimethylphosphoryloxyethanol.

Molecular Properties

Compound Name1-dimethylphosphoryloxyethanol
PubChem CID90318044
Molecular FormulaC4H11O3P
Molecular Weight138.10 g/mol
Exact Mass138.04
IUPAC Name1-dimethylphosphoryloxyethanol
SMILESCC(O)OP(C)(C)=O
InChIInChI=1S/C4H11O3P/c1-4(5)7-8(2,3)6/h4-5H,1-3H3
InChIKeyUEFPXMNBAUTNNR-UHFFFAOYSA-N
XLogP0.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.10
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-dimethylphosphoryloxypropane
CID 12572720
1-hydroxyethyl dihydrogen phosphate;urea
CID 21118622
[hydroxy(1-hydroxyethoxy)phosphoryl] prop-2-enoate
CID 22644198
2-dimethylphosphoryloxy-1,1,1-trifluoropropane
CID 87666896
dimethylphosphoryl 2-methylpropanoate
CID 87754367
1,1-dihydroxypropan-2-yl dihydrogen phosphate
CID 175328416
2-[dimethylphosphoryloxy(methyl)phosphoryl]oxypropane
CID 158432359
propan-2-yl 3-dimethylphosphoryloxy-2,2-dimethylbutanoate
CID 88542564
1-phosphonooxyethyl dihydrogen phosphate
CID 14930911
1,2,3-tris(dimethylphosphoryloxy)propane
CID 23081815
fluoro(methyl)phosphinic acid;2-[fluoro(methyl)phosphoryl]oxypropane
CID 87088477
trisodium;propan-2-ol;phosphate
CID 174993570

Frequently Asked Questions

What is the IUPAC name of 1-dimethylphosphoryloxyethanol?
The IUPAC name of 1-dimethylphosphoryloxyethanol (CID 90318044) is 1-dimethylphosphoryloxyethanol.
What is the SMILES notation for 1-dimethylphosphoryloxyethanol?
The canonical SMILES for 1-dimethylphosphoryloxyethanol is CC(O)OP(C)(C)=O.
What is the InChIKey of 1-dimethylphosphoryloxyethanol?
The InChIKey is UEFPXMNBAUTNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O3P/c1-4(5)7-8(2,3)6/h4-5H,1-3H3.
What are the key properties of 1-dimethylphosphoryloxyethanol?
1-dimethylphosphoryloxyethanol has a molecular weight of 138.10 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylphosphoryloxyethanol is sourced from PubChem (CID 90318044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).