methoxymethyl 2,5-dioxohexanoate

C8H12O5 — CID 130311044

IUPACmethoxymethyl 2,5-dioxohexanoate
SMILESCOCOC(=O)C(=O)CCC(C)=O
InChIInChI=1S/C8H12O5/c1-6(9)3-4-7(10)8(11)13-5-12-2/h3-5H2,1-2H3
InChIKeyYWUVNDWGYGXPGP-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.07
Rot. Bonds6

About methoxymethyl 2,5-dioxohexanoate

methoxymethyl 2,5-dioxohexanoate (PubChem CID 130311044) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is methoxymethyl 2,5-dioxohexanoate.

Molecular Properties

Compound Namemethoxymethyl 2,5-dioxohexanoate
PubChem CID130311044
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Namemethoxymethyl 2,5-dioxohexanoate
SMILESCOCOC(=O)C(=O)CCC(C)=O
InChIInChI=1S/C8H12O5/c1-6(9)3-4-7(10)8(11)13-5-12-2/h3-5H2,1-2H3
InChIKeyYWUVNDWGYGXPGP-UHFFFAOYSA-N
XLogP0.07
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.07
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

hexane-2,5-dione
CID 8035
methane;methoxymethyl 3-oxobutanoate
CID 158766940
sodium methoxymethyl carbonate
CID 139846012
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;(5-methoxy-2,5-dioxopentanoyl)-methylideneoxidanium;2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,5-dioxohexanoate
CID 158710799
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one
CID 71329199
4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 153276611
methoxymethyl (E)-6-oxohept-3-enoate
CID 153279843
methoxymethyl carbonochloridate
CID 21418650
methane;methoxymethyl butanoate
CID 159855538
acetyloxymethyl 4-oxopentanoate
CID 88539026
dibutyl 2,5-dioxohexanedioate
CID 90415648
5-methoxypentan-2-one acetate
CID 123446374

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 2,5-dioxohexanoate?
The IUPAC name of methoxymethyl 2,5-dioxohexanoate (CID 130311044) is methoxymethyl 2,5-dioxohexanoate.
What is the SMILES notation for methoxymethyl 2,5-dioxohexanoate?
The canonical SMILES for methoxymethyl 2,5-dioxohexanoate is COCOC(=O)C(=O)CCC(C)=O.
What is the InChIKey of methoxymethyl 2,5-dioxohexanoate?
The InChIKey is YWUVNDWGYGXPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5/c1-6(9)3-4-7(10)8(11)13-5-12-2/h3-5H2,1-2H3.
What are the key properties of methoxymethyl 2,5-dioxohexanoate?
methoxymethyl 2,5-dioxohexanoate has a molecular weight of 188.18 g/mol, XLogP of 0.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 2,5-dioxohexanoate is sourced from PubChem (CID 130311044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).