3-decanoyl-4-hydroxy-5-methylidenefuran-2-one

C15H22O4 — CID 54697845

IUPAC3-decanoyl-4-hydroxy-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C(C(=O)CCCCCCCCC)=C1O
InChIInChI=1S/C15H22O4/c1-3-4-5-6-7-8-9-10-12(16)13-14(17)11(2)19-15(13)18/h17H,2-10H2,1H3
InChIKeyYFNGFFUIVKWQHE-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.58
Rot. Bonds9

About 3-decanoyl-4-hydroxy-5-methylidenefuran-2-one

3-decanoyl-4-hydroxy-5-methylidenefuran-2-one (PubChem CID 54697845) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-decanoyl-4-hydroxy-5-methylidenefuran-2-one.

Molecular Properties

Compound Name3-decanoyl-4-hydroxy-5-methylidenefuran-2-one
PubChem CID54697845
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name3-decanoyl-4-hydroxy-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C(C(=O)CCCCCCCCC)=C1O
InChIInChI=1S/C15H22O4/c1-3-4-5-6-7-8-9-10-12(16)13-14(17)11(2)19-15(13)18/h17H,2-10H2,1H3
InChIKeyYFNGFFUIVKWQHE-UHFFFAOYSA-N
XLogP3.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-decanoyl-4-hydroxy-5-methylidenefuran-2-one?
The IUPAC name of 3-decanoyl-4-hydroxy-5-methylidenefuran-2-one (CID 54697845) is 3-decanoyl-4-hydroxy-5-methylidenefuran-2-one.
What is the SMILES notation for 3-decanoyl-4-hydroxy-5-methylidenefuran-2-one?
The canonical SMILES for 3-decanoyl-4-hydroxy-5-methylidenefuran-2-one is C=C1OC(=O)C(C(=O)CCCCCCCCC)=C1O.
What is the InChIKey of 3-decanoyl-4-hydroxy-5-methylidenefuran-2-one?
The InChIKey is YFNGFFUIVKWQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-4-5-6-7-8-9-10-12(16)13-14(17)11(2)19-15(13)18/h17H,2-10H2,1H3.
What are the key properties of 3-decanoyl-4-hydroxy-5-methylidenefuran-2-one?
3-decanoyl-4-hydroxy-5-methylidenefuran-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decanoyl-4-hydroxy-5-methylidenefuran-2-one is sourced from PubChem (CID 54697845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).