3-[(Z)-dodec-5-enoyl]-4-hydroxy-5-methylidenefuran-2-one

C17H24O4 — CID 54717176

IUPAC3-[(Z)-dodec-5-enoyl]-4-hydroxy-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C(C(=O)CCC/C=C\CCCCCC)=C1O
InChIInChI=1S/C17H24O4/c1-3-4-5-6-7-8-9-10-11-12-14(18)15-16(19)13(2)21-17(15)20/h8-9,19H,2-7,10-12H2,1H3/b9-8-
InChIKeyYXRWDFHHUJKYQR-HJWRWDBZSA-N
MW292.38 g/mol
LogP4.14
Rot. Bonds10

About 3-[(Z)-dodec-5-enoyl]-4-hydroxy-5-methylidenefuran-2-one

3-[(Z)-dodec-5-enoyl]-4-hydroxy-5-methylidenefuran-2-one (PubChem CID 54717176) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[(Z)-dodec-5-enoyl]-4-hydroxy-5-methylidenefuran-2-one.

Molecular Properties

Compound Name3-[(Z)-dodec-5-enoyl]-4-hydroxy-5-methylidenefuran-2-one
PubChem CID54717176
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name3-[(Z)-dodec-5-enoyl]-4-hydroxy-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C(C(=O)CCC/C=C\CCCCCC)=C1O
InChIInChI=1S/C17H24O4/c1-3-4-5-6-7-8-9-10-11-12-14(18)15-16(19)13(2)21-17(15)20/h8-9,19H,2-7,10-12H2,1H3/b9-8-
InChIKeyYXRWDFHHUJKYQR-HJWRWDBZSA-N
XLogP4.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

Pogostone
CID 54695756
4-Hydroxy-3-nonanoyl-6-octyl-pyran-2-one
CID 54737457
3-Hydroxy-4-methylene-2-(n-eicos-11'-yn-19'-enyl)but-2-enolide
CID 155530561
3-Decanoyl-4-hydroxy-6-nonyl-pyran-2-one
CID 54736658
6-Heptyl-4-hydroxy-3-octanoyl-pyran-2-one
CID 54678949
3-Hexanoyl-4-hydroxy-6-pentylpyran-2-one
CID 54707176
3-Butyryl-4-hydroxy-6-propyl-2H-pyran-2-one
CID 54715325
Agglomerin A
CID 54697845
2H-Pyran-2-one, 4-hydroxy-6-methyl-3-(1-oxohexyl)-
CID 54721834
3-Hexadecanoyl-4-hydroxy-5-methylidenefuran-2-one
CID 54703589
3-Dodecanoyl-4-hydroxy-6-methyl-pyran-2-one
CID 54695445
3-Dodecanoyl-4-hydroxy-6-undecylpyran-2-one
CID 54738266

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-dodec-5-enoyl]-4-hydroxy-5-methylidenefuran-2-one?
The IUPAC name of 3-[(Z)-dodec-5-enoyl]-4-hydroxy-5-methylidenefuran-2-one (CID 54717176) is 3-[(Z)-dodec-5-enoyl]-4-hydroxy-5-methylidenefuran-2-one.
What is the SMILES notation for 3-[(Z)-dodec-5-enoyl]-4-hydroxy-5-methylidenefuran-2-one?
The canonical SMILES for 3-[(Z)-dodec-5-enoyl]-4-hydroxy-5-methylidenefuran-2-one is C=C1OC(=O)C(C(=O)CCC/C=C\CCCCCC)=C1O.
What is the InChIKey of 3-[(Z)-dodec-5-enoyl]-4-hydroxy-5-methylidenefuran-2-one?
The InChIKey is YXRWDFHHUJKYQR-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H24O4/c1-3-4-5-6-7-8-9-10-11-12-14(18)15-16(19)13(2)21-17(15)20/h8-9,19H,2-7,10-12H2,1H3/b9-8-.
What are the key properties of 3-[(Z)-dodec-5-enoyl]-4-hydroxy-5-methylidenefuran-2-one?
3-[(Z)-dodec-5-enoyl]-4-hydroxy-5-methylidenefuran-2-one has a molecular weight of 292.38 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-dodec-5-enoyl]-4-hydroxy-5-methylidenefuran-2-one is sourced from PubChem (CID 54717176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).