[(2R)-3-oxo-2-propanoyloxypentyl] propanoate

C11H18O5 — CID 15840996

IUPAC[(2R)-3-oxo-2-propanoyloxypentyl] propanoate
SMILESCCC(=O)OC[C@@H](OC(=O)CC)C(=O)CC
InChIInChI=1S/C11H18O5/c1-4-8(12)9(16-11(14)6-3)7-15-10(13)5-2/h9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyJNDILNKOQJQVAB-SECBINFHSA-N
MW230.26 g/mol
LogP1.24
Rot. Bonds7

About [(2R)-3-oxo-2-propanoyloxypentyl] propanoate

[(2R)-3-oxo-2-propanoyloxypentyl] propanoate (PubChem CID 15840996) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is [(2R)-3-oxo-2-propanoyloxypentyl] propanoate.

Molecular Properties

Compound Name[(2R)-3-oxo-2-propanoyloxypentyl] propanoate
PubChem CID15840996
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name[(2R)-3-oxo-2-propanoyloxypentyl] propanoate
SMILESCCC(=O)OC[C@@H](OC(=O)CC)C(=O)CC
InChIInChI=1S/C11H18O5/c1-4-8(12)9(16-11(14)6-3)7-15-10(13)5-2/h9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyJNDILNKOQJQVAB-SECBINFHSA-N
XLogP1.24
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-3-oxo-2-propanoyloxypentyl] propanoate?
The IUPAC name of [(2R)-3-oxo-2-propanoyloxypentyl] propanoate (CID 15840996) is [(2R)-3-oxo-2-propanoyloxypentyl] propanoate.
What is the SMILES notation for [(2R)-3-oxo-2-propanoyloxypentyl] propanoate?
The canonical SMILES for [(2R)-3-oxo-2-propanoyloxypentyl] propanoate is CCC(=O)OC[C@@H](OC(=O)CC)C(=O)CC.
What is the InChIKey of [(2R)-3-oxo-2-propanoyloxypentyl] propanoate?
The InChIKey is JNDILNKOQJQVAB-SECBINFHSA-N. The full InChI is InChI=1S/C11H18O5/c1-4-8(12)9(16-11(14)6-3)7-15-10(13)5-2/h9H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of [(2R)-3-oxo-2-propanoyloxypentyl] propanoate?
[(2R)-3-oxo-2-propanoyloxypentyl] propanoate has a molecular weight of 230.26 g/mol, XLogP of 1.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-oxo-2-propanoyloxypentyl] propanoate is sourced from PubChem (CID 15840996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).