methoxymethyl 2-(4-methylidene-5-oxooxolan-2-yl)acetate

C9H12O5 — CID 130375952

IUPACmethoxymethyl 2-(4-methylidene-5-oxooxolan-2-yl)acetate
SMILESC=C1CC(CC(=O)OCOC)OC1=O
InChIInChI=1S/C9H12O5/c1-6-3-7(14-9(6)11)4-8(10)13-5-12-2/h7H,1,3-5H2,2H3
InChIKeyYIEWWUIODBHBIX-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.40
Rot. Bonds4

About methoxymethyl 2-(4-methylidene-5-oxooxolan-2-yl)acetate

methoxymethyl 2-(4-methylidene-5-oxooxolan-2-yl)acetate (PubChem CID 130375952) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is methoxymethyl 2-(4-methylidene-5-oxooxolan-2-yl)acetate.

Molecular Properties

Compound Namemethoxymethyl 2-(4-methylidene-5-oxooxolan-2-yl)acetate
PubChem CID130375952
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Namemethoxymethyl 2-(4-methylidene-5-oxooxolan-2-yl)acetate
SMILESC=C1CC(CC(=O)OCOC)OC1=O
InChIInChI=1S/C9H12O5/c1-6-3-7(14-9(6)11)4-8(10)13-5-12-2/h7H,1,3-5H2,2H3
InChIKeyYIEWWUIODBHBIX-UHFFFAOYSA-N
XLogP0.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxymethyl 2-(4-methylidene-5-oxooxolan-2-yl)acetate?
The IUPAC name of methoxymethyl 2-(4-methylidene-5-oxooxolan-2-yl)acetate (CID 130375952) is methoxymethyl 2-(4-methylidene-5-oxooxolan-2-yl)acetate.
What is the SMILES notation for methoxymethyl 2-(4-methylidene-5-oxooxolan-2-yl)acetate?
The canonical SMILES for methoxymethyl 2-(4-methylidene-5-oxooxolan-2-yl)acetate is C=C1CC(CC(=O)OCOC)OC1=O.
What is the InChIKey of methoxymethyl 2-(4-methylidene-5-oxooxolan-2-yl)acetate?
The InChIKey is YIEWWUIODBHBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-6-3-7(14-9(6)11)4-8(10)13-5-12-2/h7H,1,3-5H2,2H3.
What are the key properties of methoxymethyl 2-(4-methylidene-5-oxooxolan-2-yl)acetate?
methoxymethyl 2-(4-methylidene-5-oxooxolan-2-yl)acetate has a molecular weight of 200.19 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 2-(4-methylidene-5-oxooxolan-2-yl)acetate is sourced from PubChem (CID 130375952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).