2-diethoxyphosphanylbutanoic acid

C8H17O4P — CID 86596377

IUPAC2-diethoxyphosphanylbutanoic acid
SMILESCCOP(OCC)C(CC)C(=O)O
InChIInChI=1S/C8H17O4P/c1-4-7(8(9)10)13(11-5-2)12-6-3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyISRIBORJJFULPH-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.23
Rot. Bonds7

About 2-diethoxyphosphanylbutanoic acid

2-diethoxyphosphanylbutanoic acid (PubChem CID 86596377) has the molecular formula C8H17O4P and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-diethoxyphosphanylbutanoic acid.

Molecular Properties

Compound Name2-diethoxyphosphanylbutanoic acid
PubChem CID86596377
Molecular FormulaC8H17O4P
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name2-diethoxyphosphanylbutanoic acid
SMILESCCOP(OCC)C(CC)C(=O)O
InChIInChI=1S/C8H17O4P/c1-4-7(8(9)10)13(11-5-2)12-6-3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyISRIBORJJFULPH-UHFFFAOYSA-N
XLogP2.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;diethyl hydrogen phosphite;mercury
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2-[(2R)-butan-2-yl]propanedioic acid
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2-chlorobutanoic acid;ethyl acetate
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acetic acid;butan-2-ol;ethyl acetate
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acetic acid;chloroform;ethyl acetate;methanol
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2-(4-diethoxyphosphanylphenyl)propanoic acid
CID 89471240
chloroform;ethyl acetate
CID 22063688
chloroform;ethyl acetate
CID 173213410
chloroform;ethyl acetate
CID 173321498
CID 87086045
CID 87086045
ethane;2-ethylbutanoic acid
CID 142229949

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphanylbutanoic acid?
The IUPAC name of 2-diethoxyphosphanylbutanoic acid (CID 86596377) is 2-diethoxyphosphanylbutanoic acid.
What is the SMILES notation for 2-diethoxyphosphanylbutanoic acid?
The canonical SMILES for 2-diethoxyphosphanylbutanoic acid is CCOP(OCC)C(CC)C(=O)O.
What is the InChIKey of 2-diethoxyphosphanylbutanoic acid?
The InChIKey is ISRIBORJJFULPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4P/c1-4-7(8(9)10)13(11-5-2)12-6-3/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of 2-diethoxyphosphanylbutanoic acid?
2-diethoxyphosphanylbutanoic acid has a molecular weight of 208.19 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphanylbutanoic acid is sourced from PubChem (CID 86596377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).