4-[butoxy(methyl)phosphanyl]butanoic acid

C9H19O3P — CID 166139496

IUPAC4-[butoxy(methyl)phosphanyl]butanoic acid
SMILESCCCCOP(C)CCCC(=O)O
InChIInChI=1S/C9H19O3P/c1-3-4-7-12-13(2)8-5-6-9(10)11/h3-8H2,1-2H3,(H,10,11)
InChIKeyBMDPJGORVOFIJV-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.69
Rot. Bonds8

About 4-[butoxy(methyl)phosphanyl]butanoic acid

4-[butoxy(methyl)phosphanyl]butanoic acid (PubChem CID 166139496) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is 4-[butoxy(methyl)phosphanyl]butanoic acid.

Molecular Properties

Compound Name4-[butoxy(methyl)phosphanyl]butanoic acid
PubChem CID166139496
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Name4-[butoxy(methyl)phosphanyl]butanoic acid
SMILESCCCCOP(C)CCCC(=O)O
InChIInChI=1S/C9H19O3P/c1-3-4-7-12-13(2)8-5-6-9(10)11/h3-8H2,1-2H3,(H,10,11)
InChIKeyBMDPJGORVOFIJV-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[butoxy(methyl)phosphanyl]butanoic acid?
The IUPAC name of 4-[butoxy(methyl)phosphanyl]butanoic acid (CID 166139496) is 4-[butoxy(methyl)phosphanyl]butanoic acid.
What is the SMILES notation for 4-[butoxy(methyl)phosphanyl]butanoic acid?
The canonical SMILES for 4-[butoxy(methyl)phosphanyl]butanoic acid is CCCCOP(C)CCCC(=O)O.
What is the InChIKey of 4-[butoxy(methyl)phosphanyl]butanoic acid?
The InChIKey is BMDPJGORVOFIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O3P/c1-3-4-7-12-13(2)8-5-6-9(10)11/h3-8H2,1-2H3,(H,10,11).
What are the key properties of 4-[butoxy(methyl)phosphanyl]butanoic acid?
4-[butoxy(methyl)phosphanyl]butanoic acid has a molecular weight of 206.22 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butoxy(methyl)phosphanyl]butanoic acid is sourced from PubChem (CID 166139496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).