(3-methoxy-2-methyl-3-oxopropyl)-propan-2-ylphosphinic acid

C8H17O4P — CID 44606057

IUPAC(3-methoxy-2-methyl-3-oxopropyl)-propan-2-ylphosphinic acid
SMILESCOC(=O)C(C)CP(=O)(O)C(C)C
InChIInChI=1S/C8H17O4P/c1-6(2)13(10,11)5-7(3)8(9)12-4/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyXTGRVHFDWRGJQK-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.47
Rot. Bonds4

About (3-methoxy-2-methyl-3-oxopropyl)-propan-2-ylphosphinic acid

(3-methoxy-2-methyl-3-oxopropyl)-propan-2-ylphosphinic acid (PubChem CID 44606057) has the molecular formula C8H17O4P and a molecular weight of 208.19 g/mol. Its IUPAC name is (3-methoxy-2-methyl-3-oxopropyl)-propan-2-ylphosphinic acid.

Molecular Properties

Compound Name(3-methoxy-2-methyl-3-oxopropyl)-propan-2-ylphosphinic acid
PubChem CID44606057
Molecular FormulaC8H17O4P
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name(3-methoxy-2-methyl-3-oxopropyl)-propan-2-ylphosphinic acid
SMILESCOC(=O)C(C)CP(=O)(O)C(C)C
InChIInChI=1S/C8H17O4P/c1-6(2)13(10,11)5-7(3)8(9)12-4/h6-7H,5H2,1-4H3,(H,10,11)
InChIKeyXTGRVHFDWRGJQK-UHFFFAOYSA-N
XLogP1.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.47
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

1-aminoethyl-(3-methoxy-2-methyl-3-oxopropyl)phosphinic acid
CID 19880149
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium
CID 51704146
5-methoxy-4-methyl-2,5-dioxopentanoic acid
CID 174869002
methyl 2-dimethylphosphoryl-2-fluoroacetate
CID 90854286
(1-methoxy-1-oxopropan-2-yl)-methylphosphinic acid
CID 19875564
methyl (2S)-4-amino-2-methylpentanoate
CID 88911479
methyl (2S)-3-bromo-2-methylpropanoate;zinc
CID 158954995
zinc methyl (2R)-3-bromo-2-methylpropanoate
CID 175736425
dimethyl (2S,7S)-2,7-dimethyloct-4-ynedioate
CID 163588468
methyl (2S)-3-[chloro(phenoxy)phosphoryl]-2-methylpropanoate
CID 58475101
methyl 2-amino-4-methylpentanoate;phosphoric acid
CID 175229624

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-methyl-3-oxopropyl)-propan-2-ylphosphinic acid?
The IUPAC name of (3-methoxy-2-methyl-3-oxopropyl)-propan-2-ylphosphinic acid (CID 44606057) is (3-methoxy-2-methyl-3-oxopropyl)-propan-2-ylphosphinic acid.
What is the SMILES notation for (3-methoxy-2-methyl-3-oxopropyl)-propan-2-ylphosphinic acid?
The canonical SMILES for (3-methoxy-2-methyl-3-oxopropyl)-propan-2-ylphosphinic acid is COC(=O)C(C)CP(=O)(O)C(C)C.
What is the InChIKey of (3-methoxy-2-methyl-3-oxopropyl)-propan-2-ylphosphinic acid?
The InChIKey is XTGRVHFDWRGJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4P/c1-6(2)13(10,11)5-7(3)8(9)12-4/h6-7H,5H2,1-4H3,(H,10,11).
What are the key properties of (3-methoxy-2-methyl-3-oxopropyl)-propan-2-ylphosphinic acid?
(3-methoxy-2-methyl-3-oxopropyl)-propan-2-ylphosphinic acid has a molecular weight of 208.19 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-methyl-3-oxopropyl)-propan-2-ylphosphinic acid is sourced from PubChem (CID 44606057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).