methyl 2-[2-methyl-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate

C14H22O3 — CID 151386030

IUPACmethyl 2-[2-methyl-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
SMILESCC/C=C\CC1(C)C(=O)CCC1CC(=O)OC
InChIInChI=1S/C14H22O3/c1-4-5-6-9-14(2)11(7-8-12(14)15)10-13(16)17-3/h5-6,11H,4,7-10H2,1-3H3/b6-5-
InChIKeyOTKPGLYYTBWCFA-WAYWQWQTSA-N
MW238.33 g/mol
LogP2.89
Rot. Bonds5

About methyl 2-[2-methyl-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate

methyl 2-[2-methyl-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate (PubChem CID 151386030) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is methyl 2-[2-methyl-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methyl-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
PubChem CID151386030
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Namemethyl 2-[2-methyl-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
SMILESCC/C=C\CC1(C)C(=O)CCC1CC(=O)OC
InChIInChI=1S/C14H22O3/c1-4-5-6-9-14(2)11(7-8-12(14)15)10-13(16)17-3/h5-6,11H,4,7-10H2,1-3H3/b6-5-
InChIKeyOTKPGLYYTBWCFA-WAYWQWQTSA-N
XLogP2.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(-)-Methyl jasmonate
CID 5281929
Jasmonic Acid
CID 5281166
Methyl 2-(3-Oxo-2-((E)-Pent-2-Enyl)Cyclopentyl)Acetate
CID 5367719
a Methyl jasmonate
CID 5319693
Methyl 3-oxo-2-(pent-2-enyl)cyclopentaneacetate
CID 62388
(+)-7-iso-Jasmonic acid
CID 7251183
Methyl epijasmonate
CID 10751624
Methyl (+)-7-isojasmonate
CID 6427970
methyl 2-[(1S,2R)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
CID 12566815
methyl 2-[(1R,2R)-3-oxo-2-pent-2-enylcyclopentyl]acetate
CID 88353
(+/-)-Jasmonic acid
CID 12304694
Methyl dl-jasmonate
CID 6428089

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methyl-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate?
The IUPAC name of methyl 2-[2-methyl-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate (CID 151386030) is methyl 2-[2-methyl-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[2-methyl-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate?
The canonical SMILES for methyl 2-[2-methyl-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate is CC/C=C\CC1(C)C(=O)CCC1CC(=O)OC.
What is the InChIKey of methyl 2-[2-methyl-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate?
The InChIKey is OTKPGLYYTBWCFA-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-5-6-9-14(2)11(7-8-12(14)15)10-13(16)17-3/h5-6,11H,4,7-10H2,1-3H3/b6-5-.
What are the key properties of methyl 2-[2-methyl-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate?
methyl 2-[2-methyl-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate has a molecular weight of 238.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methyl-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate is sourced from PubChem (CID 151386030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).