(2-butoxy-2-oxoethyl)-ethylphosphinic acid

C8H17O4P — CID 141259746

IUPAC(2-butoxy-2-oxoethyl)-ethylphosphinic acid
SMILESCCCCOC(=O)CP(=O)(O)CC
InChIInChI=1S/C8H17O4P/c1-3-5-6-12-8(9)7-13(10,11)4-2/h3-7H2,1-2H3,(H,10,11)
InChIKeyJYBGXABJAAPSDE-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.62
Rot. Bonds6

About (2-butoxy-2-oxoethyl)-ethylphosphinic acid

(2-butoxy-2-oxoethyl)-ethylphosphinic acid (PubChem CID 141259746) has the molecular formula C8H17O4P and a molecular weight of 208.19 g/mol. Its IUPAC name is (2-butoxy-2-oxoethyl)-ethylphosphinic acid.

Molecular Properties

Compound Name(2-butoxy-2-oxoethyl)-ethylphosphinic acid
PubChem CID141259746
Molecular FormulaC8H17O4P
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name(2-butoxy-2-oxoethyl)-ethylphosphinic acid
SMILESCCCCOC(=O)CP(=O)(O)CC
InChIInChI=1S/C8H17O4P/c1-3-5-6-12-8(9)7-13(10,11)4-2/h3-7H2,1-2H3,(H,10,11)
InChIKeyJYBGXABJAAPSDE-UHFFFAOYSA-N
XLogP1.62
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-dipropoxyphosphorylacetate
CID 90341497
(3-butoxy-3-oxopropyl)phosphonic acid
CID 87359491
dodecyl-(2-ethoxy-2-oxoethyl)phosphinic acid
CID 44606055
[2-bis[[2-[ethyl(hydroxy)phosphoryl]acetyl]oxy]alumanyloxy-2-oxoethyl]-ethylphosphinic acid
CID 141259747
[(2-butoxy-2-oxoethyl)amino]methylphosphonic acid
CID 13208151
decyl 2-diethoxyphosphorylacetate
CID 87375988
dibutyl heptadecanedioate
CID 87117348
(1-butoxy-3-methyl-1-oxoheptan-3-yl)phosphonic acid
CID 87358970
dodecyl 2-[dodecoxy(ethoxy)phosphoryl]acetate
CID 87327786
butyl pentacosanoate
CID 54548273
1-O-butyl 4-O-heptyl butanedioate
CID 91701655
butyl dodecanoate;stannane
CID 173127459

Frequently Asked Questions

What is the IUPAC name of (2-butoxy-2-oxoethyl)-ethylphosphinic acid?
The IUPAC name of (2-butoxy-2-oxoethyl)-ethylphosphinic acid (CID 141259746) is (2-butoxy-2-oxoethyl)-ethylphosphinic acid.
What is the SMILES notation for (2-butoxy-2-oxoethyl)-ethylphosphinic acid?
The canonical SMILES for (2-butoxy-2-oxoethyl)-ethylphosphinic acid is CCCCOC(=O)CP(=O)(O)CC.
What is the InChIKey of (2-butoxy-2-oxoethyl)-ethylphosphinic acid?
The InChIKey is JYBGXABJAAPSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4P/c1-3-5-6-12-8(9)7-13(10,11)4-2/h3-7H2,1-2H3,(H,10,11).
What are the key properties of (2-butoxy-2-oxoethyl)-ethylphosphinic acid?
(2-butoxy-2-oxoethyl)-ethylphosphinic acid has a molecular weight of 208.19 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butoxy-2-oxoethyl)-ethylphosphinic acid is sourced from PubChem (CID 141259746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).