4-(methoxymethoxymethoxy)-3-oxobutanoic acid

C7H12O6 — CID 151680712

IUPAC4-(methoxymethoxymethoxy)-3-oxobutanoic acid
SMILESCOCOCOCC(=O)CC(=O)O
InChIInChI=1S/C7H12O6/c1-11-4-13-5-12-3-6(8)2-7(9)10/h2-5H2,1H3,(H,9,10)
InChIKeyRALVKISIASLUSK-UHFFFAOYSA-N
MW192.17 g/mol
LogP-0.38
Rot. Bonds8

About 4-(methoxymethoxymethoxy)-3-oxobutanoic acid

4-(methoxymethoxymethoxy)-3-oxobutanoic acid (PubChem CID 151680712) has the molecular formula C7H12O6 and a molecular weight of 192.17 g/mol. Its IUPAC name is 4-(methoxymethoxymethoxy)-3-oxobutanoic acid.

Molecular Properties

Compound Name4-(methoxymethoxymethoxy)-3-oxobutanoic acid
PubChem CID151680712
Molecular FormulaC7H12O6
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Name4-(methoxymethoxymethoxy)-3-oxobutanoic acid
SMILESCOCOCOCC(=O)CC(=O)O
InChIInChI=1S/C7H12O6/c1-11-4-13-5-12-3-6(8)2-7(9)10/h2-5H2,1H3,(H,9,10)
InChIKeyRALVKISIASLUSK-UHFFFAOYSA-N
XLogP-0.38
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(methoxymethoxy)acetate
CID 11018922
4-[2-(dimethylamino)ethoxy]-3-oxobutanoic acid
CID 88700025
1-methoxy-2-(methoxymethoxymethoxy)ethane
CID 91553787
methyl 2-(2-methoxyethoxymethoxy)acetate
CID 86258559
6-methoxy-3-oxohexanoic acid
CID 57018252
1-(methoxymethoxy)oct-7-en-2-one
CID 101480489
1,3-bis(2-methoxyethoxy)propan-2-one
CID 14893271
(E)-6-(methoxymethoxy)-4-methylhex-4-enoic acid
CID 11106098
4-(2-azidoethoxy)-3-oxobutanoic acid
CID 18798299
[2-[2-(methoxymethoxy)acetyl]oxyacetyl]oxidanium
CID 23560431
2-methoxyacetic acid;titanium
CID 174298740
2-methoxyacetic acid;silver
CID 158784523

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethoxymethoxy)-3-oxobutanoic acid?
The IUPAC name of 4-(methoxymethoxymethoxy)-3-oxobutanoic acid (CID 151680712) is 4-(methoxymethoxymethoxy)-3-oxobutanoic acid.
What is the SMILES notation for 4-(methoxymethoxymethoxy)-3-oxobutanoic acid?
The canonical SMILES for 4-(methoxymethoxymethoxy)-3-oxobutanoic acid is COCOCOCC(=O)CC(=O)O.
What is the InChIKey of 4-(methoxymethoxymethoxy)-3-oxobutanoic acid?
The InChIKey is RALVKISIASLUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O6/c1-11-4-13-5-12-3-6(8)2-7(9)10/h2-5H2,1H3,(H,9,10).
What are the key properties of 4-(methoxymethoxymethoxy)-3-oxobutanoic acid?
4-(methoxymethoxymethoxy)-3-oxobutanoic acid has a molecular weight of 192.17 g/mol, XLogP of -0.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethoxymethoxy)-3-oxobutanoic acid is sourced from PubChem (CID 151680712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).