3-(2-methoxyethyl)-2-pent-2-enylcyclopentan-1-one

C13H22O2 — CID 76619038

IUPAC3-(2-methoxyethyl)-2-pent-2-enylcyclopentan-1-one
SMILESCCC=CCC1C(=O)CCC1CCOC
InChIInChI=1S/C13H22O2/c1-3-4-5-6-12-11(9-10-15-2)7-8-13(12)14/h4-5,11-12H,3,6-10H2,1-2H3
InChIKeyMMMNJSGVOPQRMO-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.97
Rot. Bonds6

About 3-(2-methoxyethyl)-2-pent-2-enylcyclopentan-1-one

3-(2-methoxyethyl)-2-pent-2-enylcyclopentan-1-one (PubChem CID 76619038) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-pent-2-enylcyclopentan-1-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-pent-2-enylcyclopentan-1-one
PubChem CID76619038
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-(2-methoxyethyl)-2-pent-2-enylcyclopentan-1-one
SMILESCCC=CCC1C(=O)CCC1CCOC
InChIInChI=1S/C13H22O2/c1-3-4-5-6-12-11(9-10-15-2)7-8-13(12)14/h4-5,11-12H,3,6-10H2,1-2H3
InChIKeyMMMNJSGVOPQRMO-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(-)-Methyl jasmonate
CID 5281929
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
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
Methyl dl-jasmonate
CID 6428089
Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-penten-1-yl-, methyl ester, (1R,2S)-rel-
CID 6450295
(+)-7-Isojasmonate
CID 7251182
Cyclopent(d)oxecin-2,9-dione, 1,4,5,8,8a,10,11,11a-octahydro-, (6Z,8aR,11aR)-
CID 6443097

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-pent-2-enylcyclopentan-1-one?
The IUPAC name of 3-(2-methoxyethyl)-2-pent-2-enylcyclopentan-1-one (CID 76619038) is 3-(2-methoxyethyl)-2-pent-2-enylcyclopentan-1-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-pent-2-enylcyclopentan-1-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-pent-2-enylcyclopentan-1-one is CCC=CCC1C(=O)CCC1CCOC.
What is the InChIKey of 3-(2-methoxyethyl)-2-pent-2-enylcyclopentan-1-one?
The InChIKey is MMMNJSGVOPQRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-4-5-6-12-11(9-10-15-2)7-8-13(12)14/h4-5,11-12H,3,6-10H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-2-pent-2-enylcyclopentan-1-one?
3-(2-methoxyethyl)-2-pent-2-enylcyclopentan-1-one has a molecular weight of 210.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-pent-2-enylcyclopentan-1-one is sourced from PubChem (CID 76619038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).