ethoxy(1-hydroxyprop-2-enyl)phosphinic acid

C5H11O4P — CID 175532614

IUPACethoxy(1-hydroxyprop-2-enyl)phosphinic acid
SMILESC=CC(O)P(=O)(O)OCC
InChIInChI=1S/C5H11O4P/c1-3-5(6)10(7,8)9-4-2/h3,5-6H,1,4H2,2H3,(H,7,8)
InChIKeyRBPBORDQAKHEKY-UHFFFAOYSA-N
MW166.11 g/mol
LogP0.71
Rot. Bonds4

About ethoxy(1-hydroxyprop-2-enyl)phosphinic acid

ethoxy(1-hydroxyprop-2-enyl)phosphinic acid (PubChem CID 175532614) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is ethoxy(1-hydroxyprop-2-enyl)phosphinic acid.

Molecular Properties

Compound Nameethoxy(1-hydroxyprop-2-enyl)phosphinic acid
PubChem CID175532614
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Nameethoxy(1-hydroxyprop-2-enyl)phosphinic acid
SMILESC=CC(O)P(=O)(O)OCC
InChIInChI=1S/C5H11O4P/c1-3-5(6)10(7,8)9-4-2/h3,5-6H,1,4H2,2H3,(H,7,8)
InChIKeyRBPBORDQAKHEKY-UHFFFAOYSA-N
XLogP0.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol
CID 71365075
[amino(hydroxy)methyl]-ethoxyphosphinic acid
CID 174477551
3-diethoxyphosphorylbut-1-ene
CID 13357671
ethoxy-[1-[hydroxy(methyl)phosphoryl]propyl]phosphinic acid
CID 58140328
4-diethoxyphosphorylhex-5-en-3-ol
CID 11031859
ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
CID 101374265
1-aminoethyl(ethoxy)phosphinic acid;hydrochloride
CID 88714482
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
(2S)-2-[diethoxyphosphoryl(formyl)amino]-2-[ethoxy(hydroxy)phosphoryl]acetic acid
CID 54488806
(4R)-1-chloro-1-diethoxyphosphoryl-4-hydroxyhex-5-en-2-one
CID 23421864
diethyl hydrogen phosphate;sulfane
CID 88774651
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565

Frequently Asked Questions

What is the IUPAC name of ethoxy(1-hydroxyprop-2-enyl)phosphinic acid?
The IUPAC name of ethoxy(1-hydroxyprop-2-enyl)phosphinic acid (CID 175532614) is ethoxy(1-hydroxyprop-2-enyl)phosphinic acid.
What is the SMILES notation for ethoxy(1-hydroxyprop-2-enyl)phosphinic acid?
The canonical SMILES for ethoxy(1-hydroxyprop-2-enyl)phosphinic acid is C=CC(O)P(=O)(O)OCC.
What is the InChIKey of ethoxy(1-hydroxyprop-2-enyl)phosphinic acid?
The InChIKey is RBPBORDQAKHEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4P/c1-3-5(6)10(7,8)9-4-2/h3,5-6H,1,4H2,2H3,(H,7,8).
What are the key properties of ethoxy(1-hydroxyprop-2-enyl)phosphinic acid?
ethoxy(1-hydroxyprop-2-enyl)phosphinic acid has a molecular weight of 166.11 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(1-hydroxyprop-2-enyl)phosphinic acid is sourced from PubChem (CID 175532614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).