[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]phosphonic acid

C6H13O5P — CID 139829131

IUPAC[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]phosphonic acid
SMILESCCC1(CO)COC1P(=O)(O)O
InChIInChI=1S/C6H13O5P/c1-2-6(3-7)4-11-5(6)12(8,9)10/h5,7H,2-4H2,1H3,(H2,8,9,10)
InChIKeyHHLJDWSDTIBRCK-UHFFFAOYSA-N
MW196.14 g/mol
LogP-0.09
Rot. Bonds3

About [3-ethyl-3-(hydroxymethyl)oxetan-2-yl]phosphonic acid

[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]phosphonic acid (PubChem CID 139829131) has the molecular formula C6H13O5P and a molecular weight of 196.14 g/mol. Its IUPAC name is [3-ethyl-3-(hydroxymethyl)oxetan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]phosphonic acid
PubChem CID139829131
Molecular FormulaC6H13O5P
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]phosphonic acid
SMILESCCC1(CO)COC1P(=O)(O)O
InChIInChI=1S/C6H13O5P/c1-2-6(3-7)4-11-5(6)12(8,9)10/h5,7H,2-4H2,1H3,(H2,8,9,10)
InChIKeyHHLJDWSDTIBRCK-UHFFFAOYSA-N
XLogP-0.09
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-ethyl-2-[2-[2-[2-[[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]oxetan-3-yl]methanol
CID 139877801
3-ethyl-3,5,5-tris(hydroxymethyl)oxan-4-ol
CID 22975897
[3-[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]oxolan-2-yl]methanol
CID 129190332
3-ethyl-3-[(3-ethyl-2-methoxyoxetan-3-yl)methyl]-2-methoxyoxetane
CID 123416933
[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
CID 130490555
3-(chloromethyl)-2-[3-(chloromethyl)-3-ethyloxetan-2-yl]oxy-3-ethyloxetane
CID 141337503
2-[5-ethyl-5-(hydroxymethyl)morpholin-2-yl]acetic acid;hydrochloride
CID 45259977
[3,12-diethyl-12-(hydroxymethyl)-8,16-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol
CID 139424065
ethylphosphane;phosphoric acid
CID 175495046
oxiran-2-ylmethanol;phosphoric acid
CID 87891587
[(2R)-2-fluoro-1-(hydroxymethyl)cyclopropyl]methanol
CID 125117096
[4-(hydroxymethyl)-2-methyl-1,3-oxazolidin-4-yl]methanol
CID 55299662

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-3-(hydroxymethyl)oxetan-2-yl]phosphonic acid?
The IUPAC name of [3-ethyl-3-(hydroxymethyl)oxetan-2-yl]phosphonic acid (CID 139829131) is [3-ethyl-3-(hydroxymethyl)oxetan-2-yl]phosphonic acid.
What is the SMILES notation for [3-ethyl-3-(hydroxymethyl)oxetan-2-yl]phosphonic acid?
The canonical SMILES for [3-ethyl-3-(hydroxymethyl)oxetan-2-yl]phosphonic acid is CCC1(CO)COC1P(=O)(O)O.
What is the InChIKey of [3-ethyl-3-(hydroxymethyl)oxetan-2-yl]phosphonic acid?
The InChIKey is HHLJDWSDTIBRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O5P/c1-2-6(3-7)4-11-5(6)12(8,9)10/h5,7H,2-4H2,1H3,(H2,8,9,10).
What are the key properties of [3-ethyl-3-(hydroxymethyl)oxetan-2-yl]phosphonic acid?
[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]phosphonic acid has a molecular weight of 196.14 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-3-(hydroxymethyl)oxetan-2-yl]phosphonic acid is sourced from PubChem (CID 139829131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).