2-propanoyloxypentyl benzoate

C15H20O4 — CID 142753434

IUPAC2-propanoyloxypentyl benzoate
SMILESCCCC(COC(=O)c1ccccc1)OC(=O)CC
InChIInChI=1S/C15H20O4/c1-3-8-13(19-14(16)4-2)11-18-15(17)12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3
InChIKeyUIIATBQNPQBHID-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.97
Rot. Bonds7

About 2-propanoyloxypentyl benzoate

2-propanoyloxypentyl benzoate (PubChem CID 142753434) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-propanoyloxypentyl benzoate.

Molecular Properties

Compound Name2-propanoyloxypentyl benzoate
PubChem CID142753434
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-propanoyloxypentyl benzoate
SMILESCCCC(COC(=O)c1ccccc1)OC(=O)CC
InChIInChI=1S/C15H20O4/c1-3-8-13(19-14(16)4-2)11-18-15(17)12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3
InChIKeyUIIATBQNPQBHID-UHFFFAOYSA-N
XLogP2.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropanoyloxy)hexyl benzoate
CID 142753437
2-(benzoyloxymethyl)pentyl benzoate;ethane-1,2-diol
CID 122470402
(3-benzoyloxy-2-propylhexyl) benzoate
CID 23125834
[(2S)-2-benzoyloxy-3-methoxypropyl] benzoate
CID 14483657
2-cyanopentyl benzoate
CID 123568699
2-(benzoyloxymethyl)heptyl benzoate
CID 66728228
4-methylheptyl benzoate
CID 163114376
2-aminodecyl benzoate
CID 141308993
decan-4-yl benzoate
CID 13141769
[(2S)-pentan-2-yl] benzoate
CID 101019298
1-hydroxybutyl benzoate
CID 23042733
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127

Frequently Asked Questions

What is the IUPAC name of 2-propanoyloxypentyl benzoate?
The IUPAC name of 2-propanoyloxypentyl benzoate (CID 142753434) is 2-propanoyloxypentyl benzoate.
What is the SMILES notation for 2-propanoyloxypentyl benzoate?
The canonical SMILES for 2-propanoyloxypentyl benzoate is CCCC(COC(=O)c1ccccc1)OC(=O)CC.
What is the InChIKey of 2-propanoyloxypentyl benzoate?
The InChIKey is UIIATBQNPQBHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-8-13(19-14(16)4-2)11-18-15(17)12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3.
What are the key properties of 2-propanoyloxypentyl benzoate?
2-propanoyloxypentyl benzoate has a molecular weight of 264.32 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propanoyloxypentyl benzoate is sourced from PubChem (CID 142753434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).