propanoyloxymethyl propanoate

C7H12O4 — CID 10313246

IUPACpropanoyloxymethyl propanoate
SMILESCCC(=O)OCOC(=O)CC
InChIInChI=1S/C7H12O4/c1-3-6(8)10-5-11-7(9)4-2/h3-5H2,1-2H3
InChIKeyRYFCKWOMDKDLEZ-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.85
Rot. Bonds4

About propanoyloxymethyl propanoate

propanoyloxymethyl propanoate (PubChem CID 10313246) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is propanoyloxymethyl propanoate.

Molecular Properties

Compound Namepropanoyloxymethyl propanoate
PubChem CID10313246
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Namepropanoyloxymethyl propanoate
SMILESCCC(=O)OCOC(=O)CC
InChIInChI=1S/C7H12O4/c1-3-6(8)10-5-11-7(9)4-2/h3-5H2,1-2H3
InChIKeyRYFCKWOMDKDLEZ-UHFFFAOYSA-N
XLogP0.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propanoyloxymethyl propanoate?
The IUPAC name of propanoyloxymethyl propanoate (CID 10313246) is propanoyloxymethyl propanoate.
What is the SMILES notation for propanoyloxymethyl propanoate?
The canonical SMILES for propanoyloxymethyl propanoate is CCC(=O)OCOC(=O)CC.
What is the InChIKey of propanoyloxymethyl propanoate?
The InChIKey is RYFCKWOMDKDLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-3-6(8)10-5-11-7(9)4-2/h3-5H2,1-2H3.
What are the key properties of propanoyloxymethyl propanoate?
propanoyloxymethyl propanoate has a molecular weight of 160.17 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propanoyloxymethyl propanoate is sourced from PubChem (CID 10313246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).