bis(propanoyloxymethyl) propanedioate

C11H16O8 — CID 22949699

IUPACbis(propanoyloxymethyl) propanedioate
SMILESCCC(=O)OCOC(=O)CC(=O)OCOC(=O)CC
InChIInChI=1S/C11H16O8/c1-3-8(12)16-6-18-10(14)5-11(15)19-7-17-9(13)4-2/h3-7H2,1-2H3
InChIKeyOEMZLDPKXQNPAU-UHFFFAOYSA-N
MW276.24 g/mol
LogP0.28
Rot. Bonds8

About bis(propanoyloxymethyl) propanedioate

bis(propanoyloxymethyl) propanedioate (PubChem CID 22949699) has the molecular formula C11H16O8 and a molecular weight of 276.24 g/mol. Its IUPAC name is bis(propanoyloxymethyl) propanedioate.

Molecular Properties

Compound Namebis(propanoyloxymethyl) propanedioate
PubChem CID22949699
Molecular FormulaC11H16O8
Molecular Weight276.24 g/mol
Exact Mass276.08
IUPAC Namebis(propanoyloxymethyl) propanedioate
SMILESCCC(=O)OCOC(=O)CC(=O)OCOC(=O)CC
InChIInChI=1S/C11H16O8/c1-3-8(12)16-6-18-10(14)5-11(15)19-7-17-9(13)4-2/h3-7H2,1-2H3
InChIKeyOEMZLDPKXQNPAU-UHFFFAOYSA-N
XLogP0.28
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of bis(propanoyloxymethyl) propanedioate?
The IUPAC name of bis(propanoyloxymethyl) propanedioate (CID 22949699) is bis(propanoyloxymethyl) propanedioate.
What is the SMILES notation for bis(propanoyloxymethyl) propanedioate?
The canonical SMILES for bis(propanoyloxymethyl) propanedioate is CCC(=O)OCOC(=O)CC(=O)OCOC(=O)CC.
What is the InChIKey of bis(propanoyloxymethyl) propanedioate?
The InChIKey is OEMZLDPKXQNPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O8/c1-3-8(12)16-6-18-10(14)5-11(15)19-7-17-9(13)4-2/h3-7H2,1-2H3.
What are the key properties of bis(propanoyloxymethyl) propanedioate?
bis(propanoyloxymethyl) propanedioate has a molecular weight of 276.24 g/mol, XLogP of 0.28, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(propanoyloxymethyl) propanedioate is sourced from PubChem (CID 22949699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).