3-[(Z)-tridec-1-enyl]oxetane-2,4-dione

C16H26O3 — CID 156873685

IUPAC3-[(Z)-tridec-1-enyl]oxetane-2,4-dione
SMILESCCCCCCCCCCC/C=C\C1C(=O)OC1=O
InChIInChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)19-16(14)18/h12-14H,2-11H2,1H3/b13-12-
InChIKeyNQAYWGOMXBHQQO-SEYXRHQNSA-N
MW266.38 g/mol
LogP4.16
Rot. Bonds11

About 3-[(Z)-tridec-1-enyl]oxetane-2,4-dione

3-[(Z)-tridec-1-enyl]oxetane-2,4-dione (PubChem CID 156873685) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-[(Z)-tridec-1-enyl]oxetane-2,4-dione.

Molecular Properties

Compound Name3-[(Z)-tridec-1-enyl]oxetane-2,4-dione
PubChem CID156873685
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name3-[(Z)-tridec-1-enyl]oxetane-2,4-dione
SMILESCCCCCCCCCCC/C=C\C1C(=O)OC1=O
InChIInChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)19-16(14)18/h12-14H,2-11H2,1H3/b13-12-
InChIKeyNQAYWGOMXBHQQO-SEYXRHQNSA-N
XLogP4.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.16
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': 'four_member_lactones', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4-bis(henicos-1-enyl)oxolane-2,5-dione
CID 139774485
3-oct-1-enyloxiran-2-one
CID 90850629
4-dec-1-enylidene-3-[(E)-non-1-enyl]oxetan-2-one
CID 126673939
(3S)-3-[(E)-octadec-1-enyl]oxolane-2,5-dione
CID 98045012
3-[(E)-dodec-1-enyl]oxolane-2,5-dione;3-[(E)-undec-1-enyl]oxolane-2,5-dione
CID 87423856
3-oct-1-enyloxolane-2,5-dione
CID 24442
3-[(Z)-but-1-enyl]oxetane-2,4-dione
CID 156873559
(3R)-3-[(E)-heptadec-1-enyl]-2-oxo-3H-furan-4-carbaldehyde
CID 162944369
sodium;3-dodec-1-enyloxolane-2,5-dione;hydride
CID 174902776
3-hex-1-enyl-4-methyloxolane-2,5-dione
CID 57041038
3-icos-1-enyloxane-2,6-dione
CID 54346397
3-hexadec-1-enyloxane-2,6-dione
CID 54115063

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-tridec-1-enyl]oxetane-2,4-dione?
The IUPAC name of 3-[(Z)-tridec-1-enyl]oxetane-2,4-dione (CID 156873685) is 3-[(Z)-tridec-1-enyl]oxetane-2,4-dione.
What is the SMILES notation for 3-[(Z)-tridec-1-enyl]oxetane-2,4-dione?
The canonical SMILES for 3-[(Z)-tridec-1-enyl]oxetane-2,4-dione is CCCCCCCCCCC/C=C\C1C(=O)OC1=O.
What is the InChIKey of 3-[(Z)-tridec-1-enyl]oxetane-2,4-dione?
The InChIKey is NQAYWGOMXBHQQO-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)19-16(14)18/h12-14H,2-11H2,1H3/b13-12-.
What are the key properties of 3-[(Z)-tridec-1-enyl]oxetane-2,4-dione?
3-[(Z)-tridec-1-enyl]oxetane-2,4-dione has a molecular weight of 266.38 g/mol, XLogP of 4.16, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-tridec-1-enyl]oxetane-2,4-dione is sourced from PubChem (CID 156873685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).