3-(methoxymethoxy)-4-methyl-2H-furan-5-one

C7H10O4 — CID 69099032

IUPAC3-(methoxymethoxy)-4-methyl-2H-furan-5-one
SMILESCOCOC1=C(C)C(=O)OC1
InChIInChI=1S/C7H10O4/c1-5-6(11-4-9-2)3-10-7(5)8/h3-4H2,1-2H3
InChIKeyBLSMONXWFWZQFC-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.44
Rot. Bonds3

About 3-(methoxymethoxy)-4-methyl-2H-furan-5-one

3-(methoxymethoxy)-4-methyl-2H-furan-5-one (PubChem CID 69099032) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 3-(methoxymethoxy)-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name3-(methoxymethoxy)-4-methyl-2H-furan-5-one
PubChem CID69099032
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name3-(methoxymethoxy)-4-methyl-2H-furan-5-one
SMILESCOCOC1=C(C)C(=O)OC1
InChIInChI=1S/C7H10O4/c1-5-6(11-4-9-2)3-10-7(5)8/h3-4H2,1-2H3
InChIKeyBLSMONXWFWZQFC-UHFFFAOYSA-N
XLogP0.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-(methoxymethoxy)-4-methyl-2H-furan-5-one?
The IUPAC name of 3-(methoxymethoxy)-4-methyl-2H-furan-5-one (CID 69099032) is 3-(methoxymethoxy)-4-methyl-2H-furan-5-one.
What is the SMILES notation for 3-(methoxymethoxy)-4-methyl-2H-furan-5-one?
The canonical SMILES for 3-(methoxymethoxy)-4-methyl-2H-furan-5-one is COCOC1=C(C)C(=O)OC1.
What is the InChIKey of 3-(methoxymethoxy)-4-methyl-2H-furan-5-one?
The InChIKey is BLSMONXWFWZQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-5-6(11-4-9-2)3-10-7(5)8/h3-4H2,1-2H3.
What are the key properties of 3-(methoxymethoxy)-4-methyl-2H-furan-5-one?
3-(methoxymethoxy)-4-methyl-2H-furan-5-one has a molecular weight of 158.15 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-4-methyl-2H-furan-5-one is sourced from PubChem (CID 69099032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).