5-methoxy-3-(trimethoxymethyl)oxolan-2-one

C9H16O6 — CID 134859340

IUPAC5-methoxy-3-(trimethoxymethyl)oxolan-2-one
SMILESCOC1CC(C(OC)(OC)OC)C(=O)O1
InChIInChI=1S/C9H16O6/c1-11-7-5-6(8(10)15-7)9(12-2,13-3)14-4/h6-7H,5H2,1-4H3
InChIKeyHLXVKYNLCJMHBZ-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.12
Rot. Bonds5

About 5-methoxy-3-(trimethoxymethyl)oxolan-2-one

5-methoxy-3-(trimethoxymethyl)oxolan-2-one (PubChem CID 134859340) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is 5-methoxy-3-(trimethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name5-methoxy-3-(trimethoxymethyl)oxolan-2-one
PubChem CID134859340
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Name5-methoxy-3-(trimethoxymethyl)oxolan-2-one
SMILESCOC1CC(C(OC)(OC)OC)C(=O)O1
InChIInChI=1S/C9H16O6/c1-11-7-5-6(8(10)15-7)9(12-2,13-3)14-4/h6-7H,5H2,1-4H3
InChIKeyHLXVKYNLCJMHBZ-UHFFFAOYSA-N
XLogP0.12
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(trimethoxymethyl)oxolan-2-one?
The IUPAC name of 5-methoxy-3-(trimethoxymethyl)oxolan-2-one (CID 134859340) is 5-methoxy-3-(trimethoxymethyl)oxolan-2-one.
What is the SMILES notation for 5-methoxy-3-(trimethoxymethyl)oxolan-2-one?
The canonical SMILES for 5-methoxy-3-(trimethoxymethyl)oxolan-2-one is COC1CC(C(OC)(OC)OC)C(=O)O1.
What is the InChIKey of 5-methoxy-3-(trimethoxymethyl)oxolan-2-one?
The InChIKey is HLXVKYNLCJMHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O6/c1-11-7-5-6(8(10)15-7)9(12-2,13-3)14-4/h6-7H,5H2,1-4H3.
What are the key properties of 5-methoxy-3-(trimethoxymethyl)oxolan-2-one?
5-methoxy-3-(trimethoxymethyl)oxolan-2-one has a molecular weight of 220.22 g/mol, XLogP of 0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(trimethoxymethyl)oxolan-2-one is sourced from PubChem (CID 134859340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).