3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one

C17H30O3 — CID 162927797

IUPAC3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one
SMILESCCCCCCCCCCC=CC1C(=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/h12-16,18H,3-11H2,1-2H3
InChIKeyFNDFNTIMRAEYCT-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.00
Rot. Bonds10

About 3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one

3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one (PubChem CID 162927797) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one.

Molecular Properties

Compound Name3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one
PubChem CID162927797
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one
SMILESCCCCCCCCCCC=CC1C(=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/h12-16,18H,3-11H2,1-2H3
InChIKeyFNDFNTIMRAEYCT-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)-3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one
CID 162927798
3,4-bis(henicos-1-enyl)oxolane-2,5-dione
CID 139774485
3-dodec-7-enyl-4-hydroxy-5-methyloxolan-2-one
CID 162846785
3-oct-1-enyloxiran-2-one
CID 90850629
(3S,4R,5R)-4-hydroxy-5-methyl-3-tetradecyloxolan-2-one
CID 11077856
3-[(Z)-tridec-1-enyl]oxetane-2,4-dione
CID 156873685
(9E,12Z)-N-[(3S,4S,5R)-4,5-dimethyl-2-oxooxolan-3-yl]octadeca-9,12-dienamide
CID 135163844
2-[(E)-hept-1-enyl]-1,3-dioxolane-4,5-dione
CID 141004308
(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
3-hex-1-enyl-4-methyloxolane-2,5-dione
CID 57041038
(3R,4S,5S)-4-[(E)-hept-1-enyl]-3-methyl-5-pentyloxolan-2-one
CID 11196401
(3S,4S,5S)-4-[(E)-hept-1-enyl]-3-methyl-5-pentyloxolan-2-one
CID 11437064

Frequently Asked Questions

What is the IUPAC name of 3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one?
The IUPAC name of 3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one (CID 162927797) is 3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one.
What is the SMILES notation for 3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one?
The canonical SMILES for 3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one is CCCCCCCCCCC=CC1C(=O)OC(C)C1O.
What is the InChIKey of 3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one?
The InChIKey is FNDFNTIMRAEYCT-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/h12-16,18H,3-11H2,1-2H3.
What are the key properties of 3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one?
3-dodec-1-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-1-enyl-4-hydroxy-5-methyloxolan-2-one is sourced from PubChem (CID 162927797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).