3-dodec-7-enyl-4-hydroxy-5-methyloxolan-2-one

C17H30O3 — CID 162846785

IUPAC3-dodec-7-enyl-4-hydroxy-5-methyloxolan-2-one
SMILESCCCCC=CCCCCCCC1C(=O)OC(C)C1O
InChIInChI=1S/C17H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-16(18)14(2)20-17(15)19/h6-7,14-16,18H,3-5,8-13H2,1-2H3
InChIKeyDJLXNJHNGUKYOB-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.00
Rot. Bonds10

About 3-dodec-7-enyl-4-hydroxy-5-methyloxolan-2-one

3-dodec-7-enyl-4-hydroxy-5-methyloxolan-2-one (PubChem CID 162846785) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 3-dodec-7-enyl-4-hydroxy-5-methyloxolan-2-one.

Molecular Properties

Compound Name3-dodec-7-enyl-4-hydroxy-5-methyloxolan-2-one
PubChem CID162846785
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name3-dodec-7-enyl-4-hydroxy-5-methyloxolan-2-one
SMILESCCCCC=CCCCCCCC1C(=O)OC(C)C1O
InChIInChI=1S/C17H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-16(18)14(2)20-17(15)19/h6-7,14-16,18H,3-5,8-13H2,1-2H3
InChIKeyDJLXNJHNGUKYOB-UHFFFAOYSA-N
XLogP4.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S,4R,5R)-4-hydroxy-5-methyl-3-tetradecyloxolan-2-one
CID 11077856
(3S,4R,5R)-4-hydroxy-3-icos-19-en-11-ynyl-5-methyloxolan-2-one;(3S,4R,5R)-4-hydroxy-3-icos-11-ynyl-5-methyloxolan-2-one
CID 6712595
(3S,4R,5R)-3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one
CID 162927798
3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one
CID 162927797
(3S,4S)-3-hexyl-4-(2-hydroxytridec-5-enyl)oxetan-2-one
CID 173122595
(3S,4S)-3-hexyl-4-[(E,2R)-2-hydroxytridec-5-enyl]oxetan-2-one
CID 101414834
3-hexadeca-11,15-dien-7,9-diynyl-4-hydroxy-5-methyloxolan-2-one
CID 85382743
(3R,4R,5S)-4-hydroxy-5-methyl-3-(3-methylbutyl)oxolan-2-one
CID 11745340
(3R,4R,5S)-4-hydroxy-5-methyl-3-[(2R)-2-methylbutyl]oxolan-2-one
CID 163073070
(3S,4S)-3-hexyl-4-[(E,2R)-2-hydroxynon-5-enyl]oxetan-2-one
CID 89185571
(9E,12Z)-N-[(3S,4S,5R)-4,5-dimethyl-2-oxooxolan-3-yl]octadeca-9,12-dienamide
CID 135163844
(4E)-3-[(E)-docos-17-enyl]-4-[(E)-tricos-18-enylidene]oxetan-2-one
CID 177414452

Frequently Asked Questions

What is the IUPAC name of 3-dodec-7-enyl-4-hydroxy-5-methyloxolan-2-one?
The IUPAC name of 3-dodec-7-enyl-4-hydroxy-5-methyloxolan-2-one (CID 162846785) is 3-dodec-7-enyl-4-hydroxy-5-methyloxolan-2-one.
What is the SMILES notation for 3-dodec-7-enyl-4-hydroxy-5-methyloxolan-2-one?
The canonical SMILES for 3-dodec-7-enyl-4-hydroxy-5-methyloxolan-2-one is CCCCC=CCCCCCCC1C(=O)OC(C)C1O.
What is the InChIKey of 3-dodec-7-enyl-4-hydroxy-5-methyloxolan-2-one?
The InChIKey is DJLXNJHNGUKYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-16(18)14(2)20-17(15)19/h6-7,14-16,18H,3-5,8-13H2,1-2H3.
What are the key properties of 3-dodec-7-enyl-4-hydroxy-5-methyloxolan-2-one?
3-dodec-7-enyl-4-hydroxy-5-methyloxolan-2-one has a molecular weight of 282.42 g/mol, XLogP of 4.00, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodec-7-enyl-4-hydroxy-5-methyloxolan-2-one is sourced from PubChem (CID 162846785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).