[3-[(E)-3-oxooct-1-enyl]cyclopentyl] acetate

C15H24O3 — CID 129228273

IUPAC[3-[(E)-3-oxooct-1-enyl]cyclopentyl] acetate
SMILESCCCCCC(=O)/C=C/C1CCC(OC(C)=O)C1
InChIInChI=1S/C15H24O3/c1-3-4-5-6-14(17)9-7-13-8-10-15(11-13)18-12(2)16/h7,9,13,15H,3-6,8,10-11H2,1-2H3/b9-7+
InChIKeyRCJCQNOWOZZIQT-VQHVLOKHSA-N
MW252.35 g/mol
LogP3.42
Rot. Bonds7

About [3-[(E)-3-oxooct-1-enyl]cyclopentyl] acetate

[3-[(E)-3-oxooct-1-enyl]cyclopentyl] acetate (PubChem CID 129228273) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is [3-[(E)-3-oxooct-1-enyl]cyclopentyl] acetate.

Molecular Properties

Compound Name[3-[(E)-3-oxooct-1-enyl]cyclopentyl] acetate
PubChem CID129228273
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name[3-[(E)-3-oxooct-1-enyl]cyclopentyl] acetate
SMILESCCCCCC(=O)/C=C/C1CCC(OC(C)=O)C1
InChIInChI=1S/C15H24O3/c1-3-4-5-6-14(17)9-7-13-8-10-15(11-13)18-12(2)16/h7,9,13,15H,3-6,8,10-11H2,1-2H3/b9-7+
InChIKeyRCJCQNOWOZZIQT-VQHVLOKHSA-N
XLogP3.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Cyclopentene-1-acetic acid, 1-methylheptyl ester
CID 175576
(1E,4S,10Z,13S)-4-pentyl-5-oxabicyclo[11.3.0]hexadeca-1,10,14-triene-6,16-dione
CID 130467368
propan-2-yl 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
CID 70681997
ethyl 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
CID 70684113
propyl 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
CID 70684114
butan-2-yl 2-[(1R,5R)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]acetate
CID 70688377
methyl (Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate
CID 117990565
methyl (Z)-7-[(1S,5E)-4-oxo-5-propylidenecyclopent-2-en-1-yl]hept-5-enoate
CID 117990567
(1E,4S,10Z,13S)-4-[(Z)-pent-2-enyl]-5-oxabicyclo[11.3.0]hexadeca-1,10,14-triene-6,16-dione
CID 117990622
(1E,4S,9Z,12S)-4-[(2Z,5Z)-octa-2,5-dienyl]-5-oxabicyclo[10.3.0]pentadeca-1,9,13-triene-6,15-dione
CID 130467621
(1E,4R,10Z,13R)-4-[(Z)-pent-2-enyl]-5-oxabicyclo[11.3.0]hexadeca-1,10,14-triene-6,16-dione
CID 130467644
5-Acetoxymethyl-2-cyclohexen-1-one
CID 14039097

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-3-oxooct-1-enyl]cyclopentyl] acetate?
The IUPAC name of [3-[(E)-3-oxooct-1-enyl]cyclopentyl] acetate (CID 129228273) is [3-[(E)-3-oxooct-1-enyl]cyclopentyl] acetate.
What is the SMILES notation for [3-[(E)-3-oxooct-1-enyl]cyclopentyl] acetate?
The canonical SMILES for [3-[(E)-3-oxooct-1-enyl]cyclopentyl] acetate is CCCCCC(=O)/C=C/C1CCC(OC(C)=O)C1.
What is the InChIKey of [3-[(E)-3-oxooct-1-enyl]cyclopentyl] acetate?
The InChIKey is RCJCQNOWOZZIQT-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H24O3/c1-3-4-5-6-14(17)9-7-13-8-10-15(11-13)18-12(2)16/h7,9,13,15H,3-6,8,10-11H2,1-2H3/b9-7+.
What are the key properties of [3-[(E)-3-oxooct-1-enyl]cyclopentyl] acetate?
[3-[(E)-3-oxooct-1-enyl]cyclopentyl] acetate has a molecular weight of 252.35 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-3-oxooct-1-enyl]cyclopentyl] acetate is sourced from PubChem (CID 129228273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).