bis(methoxymethyl) propanedioate

C7H12O6 — CID 58785342

IUPACbis(methoxymethyl) propanedioate
SMILESCOCOC(=O)CC(=O)OCOC
InChIInChI=1S/C7H12O6/c1-10-4-12-6(8)3-7(9)13-5-11-2/h3-5H2,1-2H3
InChIKeyRSWIRHRHJPVKTH-UHFFFAOYSA-N
MW192.17 g/mol
LogP-0.33
Rot. Bonds6

About bis(methoxymethyl) propanedioate

bis(methoxymethyl) propanedioate (PubChem CID 58785342) has the molecular formula C7H12O6 and a molecular weight of 192.17 g/mol. Its IUPAC name is bis(methoxymethyl) propanedioate.

Molecular Properties

Compound Namebis(methoxymethyl) propanedioate
PubChem CID58785342
Molecular FormulaC7H12O6
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Namebis(methoxymethyl) propanedioate
SMILESCOCOC(=O)CC(=O)OCOC
InChIInChI=1S/C7H12O6/c1-10-4-12-6(8)3-7(9)13-5-11-2/h3-5H2,1-2H3
InChIKeyRSWIRHRHJPVKTH-UHFFFAOYSA-N
XLogP-0.33
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

Dimethyl malonate
CID 7943
Methyl 3,3-dimethoxypropionate
CID 81924
Methyl 3,3,3-trimethoxypropionate
CID 14860743
1,3-Dioxane-4,6-dione
CID 242818
Methanediol dipropanoate
CID 10313246
Methyl (r)-3-methoxymethoxy-2-methylpropanoate
CID 13995480
Ethoxymethylene malonate
CID 53405380
5,5-Dimethyl-1,3-dioxane-4,6-dione
CID 54193377
Bis(acetoxymethyl) malonate
CID 59124845
1-O-ethyl 3-O-[(2-fluoroacetyl)oxymethyl] propanedioate
CID 129263932
Malonic acid dimethyl ester (1,1,1,7,7,7-D6)
CID 15554778
Methoxymethyl 3-oxobutanoate
CID 22942597

Frequently Asked Questions

What is the IUPAC name of bis(methoxymethyl) propanedioate?
The IUPAC name of bis(methoxymethyl) propanedioate (CID 58785342) is bis(methoxymethyl) propanedioate.
What is the SMILES notation for bis(methoxymethyl) propanedioate?
The canonical SMILES for bis(methoxymethyl) propanedioate is COCOC(=O)CC(=O)OCOC.
What is the InChIKey of bis(methoxymethyl) propanedioate?
The InChIKey is RSWIRHRHJPVKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O6/c1-10-4-12-6(8)3-7(9)13-5-11-2/h3-5H2,1-2H3.
What are the key properties of bis(methoxymethyl) propanedioate?
bis(methoxymethyl) propanedioate has a molecular weight of 192.17 g/mol, XLogP of -0.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methoxymethyl) propanedioate is sourced from PubChem (CID 58785342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).