3-[(E)-tetradec-1-enyl]oxolane-2,5-dione

C18H30O3 — CID 6043265

IUPAC3-[(E)-tetradec-1-enyl]oxolane-2,5-dione
SMILESCCCCCCCCCCCC/C=C/C1CC(=O)OC1=O
InChIInChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(19)21-18(16)20/h13-14,16H,2-12,15H2,1H3/b14-13+
InChIKeyURVNZJUYUMEJFZ-BUHFOSPRSA-N
MW294.44 g/mol
LogP4.94
Rot. Bonds12

About 3-[(E)-tetradec-1-enyl]oxolane-2,5-dione

3-[(E)-tetradec-1-enyl]oxolane-2,5-dione (PubChem CID 6043265) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[(E)-tetradec-1-enyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-[(E)-tetradec-1-enyl]oxolane-2,5-dione
PubChem CID6043265
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name3-[(E)-tetradec-1-enyl]oxolane-2,5-dione
SMILESCCCCCCCCCCCC/C=C/C1CC(=O)OC1=O
InChIInChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(19)21-18(16)20/h13-14,16H,2-12,15H2,1H3/b14-13+
InChIKeyURVNZJUYUMEJFZ-BUHFOSPRSA-N
XLogP4.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(E)-tetradec-1-enyl]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-[(E)-tetradec-1-enyl]oxolane-2,5-dione?
The IUPAC name of 3-[(E)-tetradec-1-enyl]oxolane-2,5-dione (CID 6043265) is 3-[(E)-tetradec-1-enyl]oxolane-2,5-dione.
What is the SMILES notation for 3-[(E)-tetradec-1-enyl]oxolane-2,5-dione?
The canonical SMILES for 3-[(E)-tetradec-1-enyl]oxolane-2,5-dione is CCCCCCCCCCCC/C=C/C1CC(=O)OC1=O.
What is the InChIKey of 3-[(E)-tetradec-1-enyl]oxolane-2,5-dione?
The InChIKey is URVNZJUYUMEJFZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(19)21-18(16)20/h13-14,16H,2-12,15H2,1H3/b14-13+.
What are the key properties of 3-[(E)-tetradec-1-enyl]oxolane-2,5-dione?
3-[(E)-tetradec-1-enyl]oxolane-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 4.94, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-tetradec-1-enyl]oxolane-2,5-dione is sourced from PubChem (CID 6043265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).