[2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate

C24H34O5 — CID 73407000

IUPAC[2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate
SMILESCCC=CCC1CCC(=O)C1CC(=O)OC(=O)CC1CCC(=O)C1CC=CCC
InChIInChI=1S/C24H34O5/c1-3-5-7-9-17-11-13-22(26)20(17)16-24(28)29-23(27)15-18-12-14-21(25)19(18)10-8-6-4-2/h5-8,17-20H,3-4,9-16H2,1-2H3
InChIKeyKOJUBLGSFLMUOY-UHFFFAOYSA-N
MW402.53 g/mol
LogP4.74
Rot. Bonds10

About [2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate

[2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate (PubChem CID 73407000) has the molecular formula C24H34O5 and a molecular weight of 402.53 g/mol. Its IUPAC name is [2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate.

Molecular Properties

Compound Name[2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate
PubChem CID73407000
Molecular FormulaC24H34O5
Molecular Weight402.53 g/mol
Exact Mass402.24
IUPAC Name[2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate
SMILESCCC=CCC1CCC(=O)C1CC(=O)OC(=O)CC1CCC(=O)C1CC=CCC
InChIInChI=1S/C24H34O5/c1-3-5-7-9-17-11-13-22(26)20(17)16-24(28)29-23(27)15-18-12-14-21(25)19(18)10-8-6-4-2/h5-8,17-20H,3-4,9-16H2,1-2H3
InChIKeyKOJUBLGSFLMUOY-UHFFFAOYSA-N
XLogP4.74
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S,2R)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate;methyl 2-[(1S)-3-oxo-2-[(E)-pent-2-enyl]cyclopentyl]acetate
CID 157434291
methyl 2-[(1S)-3-oxo-2-pent-2-enylcyclopentyl]acetate
CID 91500588
2-[(1R,2S)-3-oxo-2-pent-2-enylcyclopentyl]acetic acid
CID 7067458
2-[(1R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
CID 25245751
2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
CID 174803900
2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetamide
CID 5365335
2-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid;hydrochloride
CID 175288857
methyl 2-[2-(2,3-dibromopentyl)-3-oxocyclopentyl]acetate;methyl 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 158002521
[(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
CID 139583260
3-(aminomethyl)-2-[(E)-pent-2-enyl]cyclopentan-1-one
CID 139527322
4-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]butanoic acid
CID 14311116
3-(2-hydroxy-2-methoxyethyl)-2-[(Z)-pent-2-enyl]cyclopentan-1-one
CID 155337012

Frequently Asked Questions

What is the IUPAC name of [2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate?
The IUPAC name of [2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate (CID 73407000) is [2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate.
What is the SMILES notation for [2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate?
The canonical SMILES for [2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate is CCC=CCC1CCC(=O)C1CC(=O)OC(=O)CC1CCC(=O)C1CC=CCC.
What is the InChIKey of [2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate?
The InChIKey is KOJUBLGSFLMUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O5/c1-3-5-7-9-17-11-13-22(26)20(17)16-24(28)29-23(27)15-18-12-14-21(25)19(18)10-8-6-4-2/h5-8,17-20H,3-4,9-16H2,1-2H3.
What are the key properties of [2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate?
[2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate has a molecular weight of 402.53 g/mol, XLogP of 4.74, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-oxo-5-pent-2-enylcyclopentyl)acetyl] 2-(3-oxo-2-pent-2-enylcyclopentyl)acetate is sourced from PubChem (CID 73407000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).