methyl 4-(methoxymethoxy)-2-oxopentanoate

C8H14O5 — CID 10655279

IUPACmethyl 4-(methoxymethoxy)-2-oxopentanoate
SMILESCOCOC(C)CC(=O)C(=O)OC
InChIInChI=1S/C8H14O5/c1-6(13-5-11-2)4-7(9)8(10)12-3/h6H,4-5H2,1-3H3
InChIKeyZWYKSIQFAVLYAE-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.13
Rot. Bonds6

About methyl 4-(methoxymethoxy)-2-oxopentanoate

methyl 4-(methoxymethoxy)-2-oxopentanoate (PubChem CID 10655279) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is methyl 4-(methoxymethoxy)-2-oxopentanoate.

Molecular Properties

Compound Namemethyl 4-(methoxymethoxy)-2-oxopentanoate
PubChem CID10655279
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Namemethyl 4-(methoxymethoxy)-2-oxopentanoate
SMILESCOCOC(C)CC(=O)C(=O)OC
InChIInChI=1S/C8H14O5/c1-6(13-5-11-2)4-7(9)8(10)12-3/h6H,4-5H2,1-3H3
InChIKeyZWYKSIQFAVLYAE-UHFFFAOYSA-N
XLogP0.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(methoxymethoxy)butanoic acid
CID 10487007
methyl (4S)-4-bromo-2-oxopentanoate
CID 122691056
tert-butyl (4S)-4-(2-methoxyethoxy)-2-oxopentanoate
CID 129072372
(2R)-2-(methoxymethoxy)propan-1-ol
CID 10975472
(2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one
CID 56946981
(2R)-2-(methoxymethoxy)propanoic acid
CID 10844423
(2S)-1-bromo-2-(methoxymethoxy)propane
CID 131093213
methyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate
CID 10559215
methoxymethyl (2S)-2-(methoxymethoxy)propanoate
CID 71444990
trimethyl (E)-4-(methoxymethoxy)-3-methylpent-2-ene-1,1,2-tricarboxylate
CID 11056233
4-(2-methoxyethoxy)pentan-2-one
CID 64697954
dimethyl 2-[3-(methylamino)-3-oxopropyl]-4-oxopentanedioate
CID 91619341

Frequently Asked Questions

What is the IUPAC name of methyl 4-(methoxymethoxy)-2-oxopentanoate?
The IUPAC name of methyl 4-(methoxymethoxy)-2-oxopentanoate (CID 10655279) is methyl 4-(methoxymethoxy)-2-oxopentanoate.
What is the SMILES notation for methyl 4-(methoxymethoxy)-2-oxopentanoate?
The canonical SMILES for methyl 4-(methoxymethoxy)-2-oxopentanoate is COCOC(C)CC(=O)C(=O)OC.
What is the InChIKey of methyl 4-(methoxymethoxy)-2-oxopentanoate?
The InChIKey is ZWYKSIQFAVLYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5/c1-6(13-5-11-2)4-7(9)8(10)12-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 4-(methoxymethoxy)-2-oxopentanoate?
methyl 4-(methoxymethoxy)-2-oxopentanoate has a molecular weight of 190.19 g/mol, XLogP of 0.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methoxymethoxy)-2-oxopentanoate is sourced from PubChem (CID 10655279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).