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

C9H12O5 — CID 130375955

IUPAC(4-methylidene-5-oxooxolan-2-yl)methoxymethyl acetate
SMILESC=C1CC(COCOC(C)=O)OC1=O
InChIInChI=1S/C9H12O5/c1-6-3-8(14-9(6)11)4-12-5-13-7(2)10/h8H,1,3-5H2,2H3
InChIKeyUMEZLUPSGHCJEW-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.40
Rot. Bonds4

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

(4-methylidene-5-oxooxolan-2-yl)methoxymethyl acetate (PubChem CID 130375955) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is (4-methylidene-5-oxooxolan-2-yl)methoxymethyl acetate.

Molecular Properties

Compound Name(4-methylidene-5-oxooxolan-2-yl)methoxymethyl acetate
PubChem CID130375955
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name(4-methylidene-5-oxooxolan-2-yl)methoxymethyl acetate
SMILESC=C1CC(COCOC(C)=O)OC1=O
InChIInChI=1S/C9H12O5/c1-6-3-8(14-9(6)11)4-12-5-13-7(2)10/h8H,1,3-5H2,2H3
InChIKeyUMEZLUPSGHCJEW-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4-methylidene-5-oxooxolan-2-yl)methoxymethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methylidene-5-oxooxolan-2-yl)methoxymethyl acetate?
The IUPAC name of (4-methylidene-5-oxooxolan-2-yl)methoxymethyl acetate (CID 130375955) is (4-methylidene-5-oxooxolan-2-yl)methoxymethyl acetate.
What is the SMILES notation for (4-methylidene-5-oxooxolan-2-yl)methoxymethyl acetate?
The canonical SMILES for (4-methylidene-5-oxooxolan-2-yl)methoxymethyl acetate is C=C1CC(COCOC(C)=O)OC1=O.
What is the InChIKey of (4-methylidene-5-oxooxolan-2-yl)methoxymethyl acetate?
The InChIKey is UMEZLUPSGHCJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-6-3-8(14-9(6)11)4-12-5-13-7(2)10/h8H,1,3-5H2,2H3.
What are the key properties of (4-methylidene-5-oxooxolan-2-yl)methoxymethyl acetate?
(4-methylidene-5-oxooxolan-2-yl)methoxymethyl 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 (4-methylidene-5-oxooxolan-2-yl)methoxymethyl acetate is sourced from PubChem (CID 130375955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).