methyl 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methyl-3-oxohexanoate

C15H28O7 — CID 21022620

IUPACmethyl 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methyl-3-oxohexanoate
SMILESCOCCOCCOCCOCCC(C)C(=O)CC(=O)OC
InChIInChI=1S/C15H28O7/c1-13(14(16)12-15(17)19-3)4-5-20-8-9-22-11-10-21-7-6-18-2/h13H,4-12H2,1-3H3
InChIKeyFLNFRZHSCJWYJS-UHFFFAOYSA-N
MW320.38 g/mol
LogP0.84
Rot. Bonds15

About methyl 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methyl-3-oxohexanoate

methyl 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methyl-3-oxohexanoate (PubChem CID 21022620) has the molecular formula C15H28O7 and a molecular weight of 320.38 g/mol. Its IUPAC name is methyl 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methyl-3-oxohexanoate.

Molecular Properties

Compound Namemethyl 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methyl-3-oxohexanoate
PubChem CID21022620
Molecular FormulaC15H28O7
Molecular Weight320.38 g/mol
Exact Mass320.18
IUPAC Namemethyl 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methyl-3-oxohexanoate
SMILESCOCCOCCOCCOCCC(C)C(=O)CC(=O)OC
InChIInChI=1S/C15H28O7/c1-13(14(16)12-15(17)19-3)4-5-20-8-9-22-11-10-21-7-6-18-2/h13H,4-12H2,1-3H3
InChIKeyFLNFRZHSCJWYJS-UHFFFAOYSA-N
XLogP0.84
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methyl-3-oxohexanoate 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 methyl 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methyl-3-oxohexanoate?
The IUPAC name of methyl 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methyl-3-oxohexanoate (CID 21022620) is methyl 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methyl-3-oxohexanoate.
What is the SMILES notation for methyl 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methyl-3-oxohexanoate?
The canonical SMILES for methyl 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methyl-3-oxohexanoate is COCCOCCOCCOCCC(C)C(=O)CC(=O)OC.
What is the InChIKey of methyl 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methyl-3-oxohexanoate?
The InChIKey is FLNFRZHSCJWYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O7/c1-13(14(16)12-15(17)19-3)4-5-20-8-9-22-11-10-21-7-6-18-2/h13H,4-12H2,1-3H3.
What are the key properties of methyl 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methyl-3-oxohexanoate?
methyl 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methyl-3-oxohexanoate has a molecular weight of 320.38 g/mol, XLogP of 0.84, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-methyl-3-oxohexanoate is sourced from PubChem (CID 21022620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).