2,3-di(propanoyloxy)propyl propanoate

C12H20O6 — CID 8763

IUPAC2,3-di(propanoyloxy)propyl propanoate
SMILESCCC(=O)OCC(COC(=O)CC)OC(=O)CC
InChIInChI=1S/C12H20O6/c1-4-10(13)16-7-9(18-12(15)6-3)8-17-11(14)5-2/h9H,4-8H2,1-3H3
InChIKeyYZWRNSARCRTXDS-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.21
Rot. Bonds8

About 2,3-di(propanoyloxy)propyl propanoate

2,3-di(propanoyloxy)propyl propanoate (PubChem CID 8763) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2,3-di(propanoyloxy)propyl propanoate.

Molecular Properties

Compound Name2,3-di(propanoyloxy)propyl propanoate
PubChem CID8763
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name2,3-di(propanoyloxy)propyl propanoate
SMILESCCC(=O)OCC(COC(=O)CC)OC(=O)CC
InChIInChI=1S/C12H20O6/c1-4-10(13)16-7-9(18-12(15)6-3)8-17-11(14)5-2/h9H,4-8H2,1-3H3
InChIKeyYZWRNSARCRTXDS-UHFFFAOYSA-N
XLogP1.21
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propanoyloxy)propyl propanoate?
The IUPAC name of 2,3-di(propanoyloxy)propyl propanoate (CID 8763) is 2,3-di(propanoyloxy)propyl propanoate.
What is the SMILES notation for 2,3-di(propanoyloxy)propyl propanoate?
The canonical SMILES for 2,3-di(propanoyloxy)propyl propanoate is CCC(=O)OCC(COC(=O)CC)OC(=O)CC.
What is the InChIKey of 2,3-di(propanoyloxy)propyl propanoate?
The InChIKey is YZWRNSARCRTXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O6/c1-4-10(13)16-7-9(18-12(15)6-3)8-17-11(14)5-2/h9H,4-8H2,1-3H3.
What are the key properties of 2,3-di(propanoyloxy)propyl propanoate?
2,3-di(propanoyloxy)propyl propanoate has a molecular weight of 260.29 g/mol, XLogP of 1.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propanoyloxy)propyl propanoate is sourced from PubChem (CID 8763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).