2-(methoxymethoxymethyl)-3-methyloxirane

C6H12O3 — CID 88561796

IUPAC2-(methoxymethoxymethyl)-3-methyloxirane
SMILESCOCOCC1OC1C
InChIInChI=1S/C6H12O3/c1-5-6(9-5)3-8-4-7-2/h5-6H,3-4H2,1-2H3
InChIKeyQUZGVMKSBYRJHG-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.39
Rot. Bonds4

About 2-(methoxymethoxymethyl)-3-methyloxirane

2-(methoxymethoxymethyl)-3-methyloxirane (PubChem CID 88561796) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-(methoxymethoxymethyl)-3-methyloxirane.

Molecular Properties

Compound Name2-(methoxymethoxymethyl)-3-methyloxirane
PubChem CID88561796
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-(methoxymethoxymethyl)-3-methyloxirane
SMILESCOCOCC1OC1C
InChIInChI=1S/C6H12O3/c1-5-6(9-5)3-8-4-7-2/h5-6H,3-4H2,1-2H3
InChIKeyQUZGVMKSBYRJHG-UHFFFAOYSA-N
XLogP0.39
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethyl-3-(methoxymethoxymethoxymethoxymethoxymethyl)oxirane
CID 88561804
(2R,3S)-2-(methoxymethoxymethyl)-3-pentyloxirane
CID 14928829
2-(methoxymethyl)-3,4,5-trimethyloxolane
CID 21349670
methoxymethyl 2-(3-methyloxiran-2-yl)acetate
CID 89348864
(3E,4S,5R)-3-ethylidene-5-(methoxymethoxymethyl)-4-methyloxolan-2-one
CID 11356099
(2R,4R,5R)-3,4-dimethoxy-2-(methoxymethyl)-5-methyloxolane
CID 174068913
(1R,6R,8S,9R,14R,16S,17S,18R,19S,20R)-17,18,19,20-tetrakis(methoxymethoxy)-8,16-bis(methoxymethoxymethyl)-7,15-dioxatricyclo[12.2.2.26,9]icosa-2,4,10,12-tetrayne
CID 134977091
2-(methoxymethylperoxymethoxymethyl)oxirane
CID 59281856
(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane
CID 71166951
3,4,5-tris(methoxymethoxy)-2-(methoxymethoxymethyl)-6-methylideneoxane
CID 73196468
(2R,3R,5R)-2-(methoxymethoxymethyl)-5-phenylmethoxyoxolan-3-ol
CID 102065732
3,5-dimethoxy-4-(methoxymethoxy)-2,6-dimethyloxane
CID 20816384

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxymethyl)-3-methyloxirane?
The IUPAC name of 2-(methoxymethoxymethyl)-3-methyloxirane (CID 88561796) is 2-(methoxymethoxymethyl)-3-methyloxirane.
What is the SMILES notation for 2-(methoxymethoxymethyl)-3-methyloxirane?
The canonical SMILES for 2-(methoxymethoxymethyl)-3-methyloxirane is COCOCC1OC1C.
What is the InChIKey of 2-(methoxymethoxymethyl)-3-methyloxirane?
The InChIKey is QUZGVMKSBYRJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-5-6(9-5)3-8-4-7-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(methoxymethoxymethyl)-3-methyloxirane?
2-(methoxymethoxymethyl)-3-methyloxirane has a molecular weight of 132.16 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxymethyl)-3-methyloxirane is sourced from PubChem (CID 88561796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).