3-[(2E,5E,8E,11E)-pentadeca-2,5,8,11,14-pentaenyl]oxolane-2,5-dione

C19H24O3 — CID 12895833

IUPAC3-[(2E,5E,8E,11E)-pentadeca-2,5,8,11,14-pentaenyl]oxolane-2,5-dione
SMILESC=CC/C=C/C/C=C/C/C=C/C/C=C/CC1CC(=O)OC1=O
InChIInChI=1S/C19H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18(20)22-19(17)21/h2,4-5,7-8,10-11,13-14,17H,1,3,6,9,12,15-16H2/b5-4+,8-7+,11-10+,14-13+
InChIKeyUPQKWIWFMQREJI-ARQYDCTJSA-N
MW300.40 g/mol
LogP4.44
Rot. Bonds10

About 3-[(2E,5E,8E,11E)-pentadeca-2,5,8,11,14-pentaenyl]oxolane-2,5-dione

3-[(2E,5E,8E,11E)-pentadeca-2,5,8,11,14-pentaenyl]oxolane-2,5-dione (PubChem CID 12895833) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[(2E,5E,8E,11E)-pentadeca-2,5,8,11,14-pentaenyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[(2E,5E,8E,11E)-pentadeca-2,5,8,11,14-pentaenyl]oxolane-2,5-dione
PubChem CID12895833
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name3-[(2E,5E,8E,11E)-pentadeca-2,5,8,11,14-pentaenyl]oxolane-2,5-dione
SMILESC=CC/C=C/C/C=C/C/C=C/C/C=C/CC1CC(=O)OC1=O
InChIInChI=1S/C19H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18(20)22-19(17)21/h2,4-5,7-8,10-11,13-14,17H,1,3,6,9,12,15-16H2/b5-4+,8-7+,11-10+,14-13+
InChIKeyUPQKWIWFMQREJI-ARQYDCTJSA-N
XLogP4.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2E,5E,8E,11E)-pentadeca-2,5,8,11,14-pentaenyl]oxolane-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2E,5E,8E,11E)-pentadeca-2,5,8,11,14-pentaenyl]oxolane-2,5-dione?
The IUPAC name of 3-[(2E,5E,8E,11E)-pentadeca-2,5,8,11,14-pentaenyl]oxolane-2,5-dione (CID 12895833) is 3-[(2E,5E,8E,11E)-pentadeca-2,5,8,11,14-pentaenyl]oxolane-2,5-dione.
What is the SMILES notation for 3-[(2E,5E,8E,11E)-pentadeca-2,5,8,11,14-pentaenyl]oxolane-2,5-dione?
The canonical SMILES for 3-[(2E,5E,8E,11E)-pentadeca-2,5,8,11,14-pentaenyl]oxolane-2,5-dione is C=CC/C=C/C/C=C/C/C=C/C/C=C/CC1CC(=O)OC1=O.
What is the InChIKey of 3-[(2E,5E,8E,11E)-pentadeca-2,5,8,11,14-pentaenyl]oxolane-2,5-dione?
The InChIKey is UPQKWIWFMQREJI-ARQYDCTJSA-N. The full InChI is InChI=1S/C19H24O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18(20)22-19(17)21/h2,4-5,7-8,10-11,13-14,17H,1,3,6,9,12,15-16H2/b5-4+,8-7+,11-10+,14-13+.
What are the key properties of 3-[(2E,5E,8E,11E)-pentadeca-2,5,8,11,14-pentaenyl]oxolane-2,5-dione?
3-[(2E,5E,8E,11E)-pentadeca-2,5,8,11,14-pentaenyl]oxolane-2,5-dione has a molecular weight of 300.40 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,5E,8E,11E)-pentadeca-2,5,8,11,14-pentaenyl]oxolane-2,5-dione is sourced from PubChem (CID 12895833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).