3-(10-oxoundec-2-enyl)oxolane-2,5-dione

C15H22O4 — CID 123535147

IUPAC3-(10-oxoundec-2-enyl)oxolane-2,5-dione
SMILESCC(=O)CCCCCCC=CCC1CC(=O)OC1=O
InChIInChI=1S/C15H22O4/c1-12(16)9-7-5-3-2-4-6-8-10-13-11-14(17)19-15(13)18/h6,8,13H,2-5,7,9-11H2,1H3
InChIKeyCZJFBCCUCSRBNY-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.95
Rot. Bonds9

About 3-(10-oxoundec-2-enyl)oxolane-2,5-dione

3-(10-oxoundec-2-enyl)oxolane-2,5-dione (PubChem CID 123535147) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(10-oxoundec-2-enyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-(10-oxoundec-2-enyl)oxolane-2,5-dione
PubChem CID123535147
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name3-(10-oxoundec-2-enyl)oxolane-2,5-dione
SMILESCC(=O)CCCCCCC=CCC1CC(=O)OC1=O
InChIInChI=1S/C15H22O4/c1-12(16)9-7-5-3-2-4-6-8-10-13-11-14(17)19-15(13)18/h6,8,13H,2-5,7,9-11H2,1H3
InChIKeyCZJFBCCUCSRBNY-UHFFFAOYSA-N
XLogP2.95
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-docos-2-enyloxolane-2,5-dione
CID 88737726
bis(2-methylpropyl) 2-[(E)-12-oxotridec-4-enyl]butanedioate;bis(2-methylpropan-1-ol);(E)-3-[2-(2-methylpropoxy)-2-oxoethyl]-13-oxotetradec-5-enoic acid;bis(3-[(E)-10-oxoundec-2-enyl]oxolane-2,5-dione)
CID 157068382
3-[(Z)-docos-13-enoyl]oxolane-2,5-dione
CID 175125548
hexadec-8-ene-2,15-dione
CID 91429732
3-[(E)-henicos-10-enyl]oxolane-2,5-dione
CID 101277064
3-hexadec-4-enyloxolane-2,5-dione
CID 90097547
3-[(E)-docos-5-enyl]oxolane-2,5-dione
CID 101277078
3-[(E)-4-[methyl(oxo)silyl]but-2-enyl]oxolane-2,5-dione
CID 90159814
3-octa-2,4-dienyloxolane-2,5-dione
CID 153403981
3-[(E)-2-hexyldec-2-enyl]oxolane-2,5-dione
CID 118424588
3-[(E)-12-oxotridec-2-en-4-yl]oxolane-2,5-dione
CID 90440247
3-[(2E,5E,8E,11E)-pentadeca-2,5,8,11,14-pentaenyl]oxolane-2,5-dione
CID 12895833

Frequently Asked Questions

What is the IUPAC name of 3-(10-oxoundec-2-enyl)oxolane-2,5-dione?
The IUPAC name of 3-(10-oxoundec-2-enyl)oxolane-2,5-dione (CID 123535147) is 3-(10-oxoundec-2-enyl)oxolane-2,5-dione.
What is the SMILES notation for 3-(10-oxoundec-2-enyl)oxolane-2,5-dione?
The canonical SMILES for 3-(10-oxoundec-2-enyl)oxolane-2,5-dione is CC(=O)CCCCCCC=CCC1CC(=O)OC1=O.
What is the InChIKey of 3-(10-oxoundec-2-enyl)oxolane-2,5-dione?
The InChIKey is CZJFBCCUCSRBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-12(16)9-7-5-3-2-4-6-8-10-13-11-14(17)19-15(13)18/h6,8,13H,2-5,7,9-11H2,1H3.
What are the key properties of 3-(10-oxoundec-2-enyl)oxolane-2,5-dione?
3-(10-oxoundec-2-enyl)oxolane-2,5-dione has a molecular weight of 266.34 g/mol, XLogP of 2.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-oxoundec-2-enyl)oxolane-2,5-dione is sourced from PubChem (CID 123535147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).