(3-oxo-2-pentanoyloxycyclopenten-1-yl) pentanoate

C15H22O5 — CID 141096141

IUPAC(3-oxo-2-pentanoyloxycyclopenten-1-yl) pentanoate
SMILESCCCCC(=O)OC1=C(OC(=O)CCCC)C(=O)CC1
InChIInChI=1S/C15H22O5/c1-3-5-7-13(17)19-12-10-9-11(16)15(12)20-14(18)8-6-4-2/h3-10H2,1-2H3
InChIKeyVZCLHHRLKDUJIZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.03
Rot. Bonds8

About (3-oxo-2-pentanoyloxycyclopenten-1-yl) pentanoate

(3-oxo-2-pentanoyloxycyclopenten-1-yl) pentanoate (PubChem CID 141096141) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3-oxo-2-pentanoyloxycyclopenten-1-yl) pentanoate.

Molecular Properties

Compound Name(3-oxo-2-pentanoyloxycyclopenten-1-yl) pentanoate
PubChem CID141096141
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name(3-oxo-2-pentanoyloxycyclopenten-1-yl) pentanoate
SMILESCCCCC(=O)OC1=C(OC(=O)CCCC)C(=O)CC1
InChIInChI=1S/C15H22O5/c1-3-5-7-13(17)19-12-10-9-11(16)15(12)20-14(18)8-6-4-2/h3-10H2,1-2H3
InChIKeyVZCLHHRLKDUJIZ-UHFFFAOYSA-N
XLogP3.03
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-oxo-2-pentanoyloxycyclopenten-1-yl) pentanoate?
The IUPAC name of (3-oxo-2-pentanoyloxycyclopenten-1-yl) pentanoate (CID 141096141) is (3-oxo-2-pentanoyloxycyclopenten-1-yl) pentanoate.
What is the SMILES notation for (3-oxo-2-pentanoyloxycyclopenten-1-yl) pentanoate?
The canonical SMILES for (3-oxo-2-pentanoyloxycyclopenten-1-yl) pentanoate is CCCCC(=O)OC1=C(OC(=O)CCCC)C(=O)CC1.
What is the InChIKey of (3-oxo-2-pentanoyloxycyclopenten-1-yl) pentanoate?
The InChIKey is VZCLHHRLKDUJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-3-5-7-13(17)19-12-10-9-11(16)15(12)20-14(18)8-6-4-2/h3-10H2,1-2H3.
What are the key properties of (3-oxo-2-pentanoyloxycyclopenten-1-yl) pentanoate?
(3-oxo-2-pentanoyloxycyclopenten-1-yl) pentanoate has a molecular weight of 282.34 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-2-pentanoyloxycyclopenten-1-yl) pentanoate is sourced from PubChem (CID 141096141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).