2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid

C11H18O6 — CID 142337917

IUPAC2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid
SMILESCC(COCC1CO1)(COCC1CO1)C(=O)O
InChIInChI=1S/C11H18O6/c1-11(10(12)13,6-14-2-8-4-16-8)7-15-3-9-5-17-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyTXOWZRBCLZUVNL-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.09
Rot. Bonds9

About 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid

2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid (PubChem CID 142337917) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid
PubChem CID142337917
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid
SMILESCC(COCC1CO1)(COCC1CO1)C(=O)O
InChIInChI=1S/C11H18O6/c1-11(10(12)13,6-14-2-8-4-16-8)7-15-3-9-5-17-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyTXOWZRBCLZUVNL-UHFFFAOYSA-N
XLogP-0.09
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid
CID 22131922
2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid
CID 87433699
2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]methyl]oxirane
CID 88898601
[(2S)-oxiran-2-yl]methyl 2,2-dimethylpropanoate
CID 11768834
2-(oxiran-2-ylmethoxy)ethyl 2-bromo-2-methylpropanoate
CID 122573053
3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol
CID 118319216
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174535709
oxiran-2-ylmethyl 2-(2,2-dimethylpropyl)-2,4,4-trimethylpentanoate
CID 58610629
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate
CID 21349115
[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate
CID 139503569

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid?
The IUPAC name of 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid (CID 142337917) is 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid?
The canonical SMILES for 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid is CC(COCC1CO1)(COCC1CO1)C(=O)O.
What is the InChIKey of 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid?
The InChIKey is TXOWZRBCLZUVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O6/c1-11(10(12)13,6-14-2-8-4-16-8)7-15-3-9-5-17-9/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid?
2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid is sourced from PubChem (CID 142337917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).