3-tridec-8-en-6-yloxolane-2,5-dione

C17H28O3 — CID 88684953

IUPAC3-tridec-8-en-6-yloxolane-2,5-dione
SMILESCCCCC=CCC(CCCCC)C1CC(=O)OC1=O
InChIInChI=1S/C17H28O3/c1-3-5-7-8-10-12-14(11-9-6-4-2)15-13-16(18)20-17(15)19/h8,10,14-15H,3-7,9,11-13H2,1-2H3
InChIKeyHDTXOMIVPXKFJC-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.41
Rot. Bonds10

About 3-tridec-8-en-6-yloxolane-2,5-dione

3-tridec-8-en-6-yloxolane-2,5-dione (PubChem CID 88684953) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-tridec-8-en-6-yloxolane-2,5-dione.

Molecular Properties

Compound Name3-tridec-8-en-6-yloxolane-2,5-dione
PubChem CID88684953
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name3-tridec-8-en-6-yloxolane-2,5-dione
SMILESCCCCC=CCC(CCCCC)C1CC(=O)OC1=O
InChIInChI=1S/C17H28O3/c1-3-5-7-8-10-12-14(11-9-6-4-2)15-13-16(18)20-17(15)19/h8,10,14-15H,3-7,9,11-13H2,1-2H3
InChIKeyHDTXOMIVPXKFJC-UHFFFAOYSA-N
XLogP4.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.41
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'}

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Related Compounds

3-octadecan-8-yloxolane-2,5-dione
CID 150546786
3-hexadecan-4-yloxolane-2,5-dione
CID 152596663
3-octadecan-2-yloxolane-2,5-dione
CID 86037827
3-(10-methyltetradec-7-en-6-yl)oxolane-2,5-dione
CID 134320042
(E)-11-[(E)-10-(2,5-dioxooxolan-3-yl)octadec-6-en-8-yl]peroxyoctadec-12-enoic acid
CID 59779248
9-(2,5-dioxooxolan-3-yl)octadec-10-enoic acid
CID 72559719
9-(2,5-dioxooxolan-3-yl)-11-octadec-12-en-9-ylperoxyoctadec-12-enoic acid
CID 91219426
11-(1-carboxyheptadec-11-en-8-ylperoxy)-9-(2,5-dioxooxolan-3-yl)octadec-12-enoic acid
CID 72526188
3-[(E)-henicos-10-enyl]oxolane-2,5-dione
CID 101277064
3-hept-1-en-3-yloxolane-2,5-dione;3-hex-1-en-3-yloxolane-2,5-dione
CID 157064477
3-hexadec-4-enyloxolane-2,5-dione
CID 90097547
3-docos-2-enyloxolane-2,5-dione
CID 88737726

Frequently Asked Questions

What is the IUPAC name of 3-tridec-8-en-6-yloxolane-2,5-dione?
The IUPAC name of 3-tridec-8-en-6-yloxolane-2,5-dione (CID 88684953) is 3-tridec-8-en-6-yloxolane-2,5-dione.
What is the SMILES notation for 3-tridec-8-en-6-yloxolane-2,5-dione?
The canonical SMILES for 3-tridec-8-en-6-yloxolane-2,5-dione is CCCCC=CCC(CCCCC)C1CC(=O)OC1=O.
What is the InChIKey of 3-tridec-8-en-6-yloxolane-2,5-dione?
The InChIKey is HDTXOMIVPXKFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-3-5-7-8-10-12-14(11-9-6-4-2)15-13-16(18)20-17(15)19/h8,10,14-15H,3-7,9,11-13H2,1-2H3.
What are the key properties of 3-tridec-8-en-6-yloxolane-2,5-dione?
3-tridec-8-en-6-yloxolane-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tridec-8-en-6-yloxolane-2,5-dione is sourced from PubChem (CID 88684953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).