methyl 5-(2-methoxyethoxy)-2-methyl-3-oxopentanoate

C10H18O5 — CID 102928780

IUPACmethyl 5-(2-methoxyethoxy)-2-methyl-3-oxopentanoate
SMILESCOCCOCCC(=O)C(C)C(=O)OC
InChIInChI=1S/C10H18O5/c1-8(10(12)14-3)9(11)4-5-15-7-6-13-2/h8H,4-7H2,1-3H3
InChIKeyFDJGOANGCMZJLA-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.42
Rot. Bonds8

About methyl 5-(2-methoxyethoxy)-2-methyl-3-oxopentanoate

methyl 5-(2-methoxyethoxy)-2-methyl-3-oxopentanoate (PubChem CID 102928780) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl 5-(2-methoxyethoxy)-2-methyl-3-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(2-methoxyethoxy)-2-methyl-3-oxopentanoate
PubChem CID102928780
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Namemethyl 5-(2-methoxyethoxy)-2-methyl-3-oxopentanoate
SMILESCOCCOCCC(=O)C(C)C(=O)OC
InChIInChI=1S/C10H18O5/c1-8(10(12)14-3)9(11)4-5-15-7-6-13-2/h8H,4-7H2,1-3H3
InChIKeyFDJGOANGCMZJLA-UHFFFAOYSA-N
XLogP0.42
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentan-3-one
CID 176767842
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanehydrazide
CID 118988091
3-[2-(2-methoxyethoxy)ethoxy]propanethioamide
CID 104561947
methyl 4-chloro-2-methyl-3-oxobutanoate
CID 87134668
dimethyl 2-methyl-3-oxopentanedioate
CID 10943223
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430
4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 153276611
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one
CID 71329199
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide
CID 129207576
3-[2-(2-methoxyethoxy)ethoxy]-N-methylpropanamide
CID 58019725

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methoxyethoxy)-2-methyl-3-oxopentanoate?
The IUPAC name of methyl 5-(2-methoxyethoxy)-2-methyl-3-oxopentanoate (CID 102928780) is methyl 5-(2-methoxyethoxy)-2-methyl-3-oxopentanoate.
What is the SMILES notation for methyl 5-(2-methoxyethoxy)-2-methyl-3-oxopentanoate?
The canonical SMILES for methyl 5-(2-methoxyethoxy)-2-methyl-3-oxopentanoate is COCCOCCC(=O)C(C)C(=O)OC.
What is the InChIKey of methyl 5-(2-methoxyethoxy)-2-methyl-3-oxopentanoate?
The InChIKey is FDJGOANGCMZJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-8(10(12)14-3)9(11)4-5-15-7-6-13-2/h8H,4-7H2,1-3H3.
What are the key properties of methyl 5-(2-methoxyethoxy)-2-methyl-3-oxopentanoate?
methyl 5-(2-methoxyethoxy)-2-methyl-3-oxopentanoate has a molecular weight of 218.25 g/mol, XLogP of 0.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methoxyethoxy)-2-methyl-3-oxopentanoate is sourced from PubChem (CID 102928780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).