3-methoxy-2-methyl-2-prop-2-enoxypropanoic acid

C8H14O4 — CID 114997203

IUPAC3-methoxy-2-methyl-2-prop-2-enoxypropanoic acid
SMILESC=CCOC(C)(COC)C(=O)O
InChIInChI=1S/C8H14O4/c1-4-5-12-8(2,6-11-3)7(9)10/h4H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyQLYGBMWIFCZYQS-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.68
Rot. Bonds6

About 3-methoxy-2-methyl-2-prop-2-enoxypropanoic acid

3-methoxy-2-methyl-2-prop-2-enoxypropanoic acid (PubChem CID 114997203) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-prop-2-enoxypropanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-prop-2-enoxypropanoic acid
PubChem CID114997203
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name3-methoxy-2-methyl-2-prop-2-enoxypropanoic acid
SMILESC=CCOC(C)(COC)C(=O)O
InChIInChI=1S/C8H14O4/c1-4-5-12-8(2,6-11-3)7(9)10/h4H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyQLYGBMWIFCZYQS-UHFFFAOYSA-N
XLogP0.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutyloxy-3-methoxy-2-methylpropanoic acid
CID 114997758
2-but-3-enoxy-2-methylpentanoic acid
CID 114988966
2-tert-butyl-2-(methoxymethyl)propanedioic acid
CID 56990519
2,2,3,4,4-pentafluoro-3-prop-2-enoxypentanedioic acid
CID 88753540
prop-2-enyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate
CID 126624457
2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid
CID 22399558
N,2-dimethyl-2-prop-2-enoxypropanamide
CID 130010930
2-(hydroxymethyl)-2-(methoxymethyl)propane-1,3-diol;prop-2-enoic acid
CID 174613094
2-[[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-(2-carboxy-3-methoxy-2-methylpropyl)peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxymethyl]-3-methoxy-2-methylpropanoic acid
CID 58114775
bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate
CID 121263061
(2-ethoxy-1-methoxypropan-2-yl) hydrogen carbonate
CID 154385103
3-amino-4-methoxy-3-methylbutanoic acid
CID 64666411

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-prop-2-enoxypropanoic acid?
The IUPAC name of 3-methoxy-2-methyl-2-prop-2-enoxypropanoic acid (CID 114997203) is 3-methoxy-2-methyl-2-prop-2-enoxypropanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-2-prop-2-enoxypropanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-2-prop-2-enoxypropanoic acid is C=CCOC(C)(COC)C(=O)O.
What is the InChIKey of 3-methoxy-2-methyl-2-prop-2-enoxypropanoic acid?
The InChIKey is QLYGBMWIFCZYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-4-5-12-8(2,6-11-3)7(9)10/h4H,1,5-6H2,2-3H3,(H,9,10).
What are the key properties of 3-methoxy-2-methyl-2-prop-2-enoxypropanoic acid?
3-methoxy-2-methyl-2-prop-2-enoxypropanoic acid has a molecular weight of 174.20 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-prop-2-enoxypropanoic acid is sourced from PubChem (CID 114997203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).