methoxymethyl 2-(3-methyloxiran-2-yl)acetate

C7H12O4 — CID 89348864

IUPACmethoxymethyl 2-(3-methyloxiran-2-yl)acetate
SMILESCOCOC(=O)CC1OC1C
InChIInChI=1S/C7H12O4/c1-5-6(11-5)3-7(8)10-4-9-2/h5-6H,3-4H2,1-2H3
InChIKeyOKSQIMIYZHRWBH-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.31
Rot. Bonds4

About methoxymethyl 2-(3-methyloxiran-2-yl)acetate

methoxymethyl 2-(3-methyloxiran-2-yl)acetate (PubChem CID 89348864) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is methoxymethyl 2-(3-methyloxiran-2-yl)acetate.

Molecular Properties

Compound Namemethoxymethyl 2-(3-methyloxiran-2-yl)acetate
PubChem CID89348864
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Namemethoxymethyl 2-(3-methyloxiran-2-yl)acetate
SMILESCOCOC(=O)CC1OC1C
InChIInChI=1S/C7H12O4/c1-5-6(11-5)3-7(8)10-4-9-2/h5-6H,3-4H2,1-2H3
InChIKeyOKSQIMIYZHRWBH-UHFFFAOYSA-N
XLogP0.31
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethoxymethyl)-3-methyloxirane
CID 88561796
methoxymethyl 2-(4-methylidene-5-oxooxolan-2-yl)acetate
CID 130375952
methyl 2-[(3-methyloxiran-2-yl)methylsulfanyl]acetate
CID 12015167
methane;methoxymethyl butanoate
CID 159855538
sodium methoxymethyl carbonate
CID 139846012
dimethyl 2-methyl-2-[(3-methyloxiran-2-yl)methyl]propanedioate
CID 102165587
2-[2,3,5-tris(carboxymethyl)-6-methoxycarbonyloxan-4-yl]acetic acid
CID 129048068
ethyl 11-(3-methyloxiran-2-yl)undecanoate
CID 101288711
2-[(3S,4R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetic acid
CID 67963326
1-O-ethyl 5-O-(methoxymethyl) pentanedioate
CID 174421826
methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 11105849
2-[(2S,3R,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]acetic acid
CID 15343953

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 2-(3-methyloxiran-2-yl)acetate?
The IUPAC name of methoxymethyl 2-(3-methyloxiran-2-yl)acetate (CID 89348864) is methoxymethyl 2-(3-methyloxiran-2-yl)acetate.
What is the SMILES notation for methoxymethyl 2-(3-methyloxiran-2-yl)acetate?
The canonical SMILES for methoxymethyl 2-(3-methyloxiran-2-yl)acetate is COCOC(=O)CC1OC1C.
What is the InChIKey of methoxymethyl 2-(3-methyloxiran-2-yl)acetate?
The InChIKey is OKSQIMIYZHRWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-5-6(11-5)3-7(8)10-4-9-2/h5-6H,3-4H2,1-2H3.
What are the key properties of methoxymethyl 2-(3-methyloxiran-2-yl)acetate?
methoxymethyl 2-(3-methyloxiran-2-yl)acetate has a molecular weight of 160.17 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 2-(3-methyloxiran-2-yl)acetate is sourced from PubChem (CID 89348864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).