(3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one

C16H26O3 — CID 163113253

IUPAC(3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one
SMILESCCCCCC/C=C/CCCC(=O)[C@H]1CCOC1=O
InChIInChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-15(17)14-12-13-19-16(14)18/h7-8,14H,2-6,9-13H2,1H3/b8-7+/t14-/m1/s1
InChIKeyRVBYQJMXMJLEPG-HSBSLETESA-N
MW266.38 g/mol
LogP3.82
Rot. Bonds10

About (3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one

(3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one (PubChem CID 163113253) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one
PubChem CID163113253
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one
SMILESCCCCCC/C=C/CCCC(=O)[C@H]1CCOC1=O
InChIInChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-15(17)14-12-13-19-16(14)18/h7-8,14H,2-6,9-13H2,1H3/b8-7+/t14-/m1/s1
InChIKeyRVBYQJMXMJLEPG-HSBSLETESA-N
XLogP3.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.82
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

(Z)-N-(2-oxooxolan-3-yl)tetradec-7-enamide
CID 90324396
(E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide
CID 11638617
1-[(3S)-2-oxooxolan-3-yl]dodecane-1,3-dione
CID 102575878
N-(2-oxooxolan-3-yl)tetradec-7-enehydrazide
CID 123904263
3-[(Z)-docos-13-enoyl]oxolane-2,5-dione
CID 175125548
(Z)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexadec-11-enamide
CID 91886142
(2Z,8Z)-N-[(3R)-2-oxooxolan-3-yl]tetradeca-2,8-dienamide
CID 162965156
(E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide
CID 56662028
N-[(3S)-2-oxooxolan-3-yl]heptadecanamide
CID 68865340
N-[(3R)-2-oxooxolan-3-yl]tetradecanamide
CID 98125839
(Z)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide;(Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide
CID 157320754
3-methyl-6-[(Z)-2-oxononadec-10-enyl]-1,4-dioxane-2,5-dione
CID 68639087

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one?
The IUPAC name of (3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one (CID 163113253) is (3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one?
The canonical SMILES for (3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one is CCCCCC/C=C/CCCC(=O)[C@H]1CCOC1=O.
What is the InChIKey of (3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one?
The InChIKey is RVBYQJMXMJLEPG-HSBSLETESA-N. The full InChI is InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-15(17)14-12-13-19-16(14)18/h7-8,14H,2-6,9-13H2,1H3/b8-7+/t14-/m1/s1.
What are the key properties of (3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one?
(3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one has a molecular weight of 266.38 g/mol, XLogP of 3.82, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(E)-dodec-5-enoyl]oxolan-2-one is sourced from PubChem (CID 163113253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).