4-(methoxymethoxy)-3,5-dimethyl-5-(3-oxobutyl)furan-2-one

C12H18O5 — CID 10955730

IUPAC4-(methoxymethoxy)-3,5-dimethyl-5-(3-oxobutyl)furan-2-one
SMILESCOCOC1=C(C)C(=O)OC1(C)CCC(C)=O
InChIInChI=1S/C12H18O5/c1-8(13)5-6-12(3)10(16-7-15-4)9(2)11(14)17-12/h5-7H2,1-4H3
InChIKeyYGEWZUTXOXRFKM-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.57
Rot. Bonds6

About 4-(methoxymethoxy)-3,5-dimethyl-5-(3-oxobutyl)furan-2-one

4-(methoxymethoxy)-3,5-dimethyl-5-(3-oxobutyl)furan-2-one (PubChem CID 10955730) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-(methoxymethoxy)-3,5-dimethyl-5-(3-oxobutyl)furan-2-one.

Molecular Properties

Compound Name4-(methoxymethoxy)-3,5-dimethyl-5-(3-oxobutyl)furan-2-one
PubChem CID10955730
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name4-(methoxymethoxy)-3,5-dimethyl-5-(3-oxobutyl)furan-2-one
SMILESCOCOC1=C(C)C(=O)OC1(C)CCC(C)=O
InChIInChI=1S/C12H18O5/c1-8(13)5-6-12(3)10(16-7-15-4)9(2)11(14)17-12/h5-7H2,1-4H3
InChIKeyYGEWZUTXOXRFKM-UHFFFAOYSA-N
XLogP1.57
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(methoxymethoxy)-3,5-dimethyl-5-(3-oxobutyl)furan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

[3-Methoxy-2-(3-methyl-4-oxopent-1-en-2-yl)-5-oxofuran-2-yl] acetate
CID 57218398
(5S)-4-(methoxymethoxy)-3,5-dimethyl-5-(3-oxooct-4-ynyl)furan-2-one
CID 11055496
(5S)-4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one
CID 15298158
3-[(2S)-3-(methoxymethoxy)-2,4-dimethyl-5-oxofuran-2-yl]propanal
CID 10911306
4-(methoxymethoxy)-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dienyl]furan-2-one
CID 11737960

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxy)-3,5-dimethyl-5-(3-oxobutyl)furan-2-one?
The IUPAC name of 4-(methoxymethoxy)-3,5-dimethyl-5-(3-oxobutyl)furan-2-one (CID 10955730) is 4-(methoxymethoxy)-3,5-dimethyl-5-(3-oxobutyl)furan-2-one.
What is the SMILES notation for 4-(methoxymethoxy)-3,5-dimethyl-5-(3-oxobutyl)furan-2-one?
The canonical SMILES for 4-(methoxymethoxy)-3,5-dimethyl-5-(3-oxobutyl)furan-2-one is COCOC1=C(C)C(=O)OC1(C)CCC(C)=O.
What is the InChIKey of 4-(methoxymethoxy)-3,5-dimethyl-5-(3-oxobutyl)furan-2-one?
The InChIKey is YGEWZUTXOXRFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-8(13)5-6-12(3)10(16-7-15-4)9(2)11(14)17-12/h5-7H2,1-4H3.
What are the key properties of 4-(methoxymethoxy)-3,5-dimethyl-5-(3-oxobutyl)furan-2-one?
4-(methoxymethoxy)-3,5-dimethyl-5-(3-oxobutyl)furan-2-one has a molecular weight of 242.27 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxy)-3,5-dimethyl-5-(3-oxobutyl)furan-2-one is sourced from PubChem (CID 10955730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).