3-hexadeca-7,10-dienyl-2-hydroxy-2H-furan-5-one

C20H32O3 — CID 54276647

IUPAC3-hexadeca-7,10-dienyl-2-hydroxy-2H-furan-5-one
SMILESCCCCCC=CCC=CCCCCCCC1=CC(=O)OC1O
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19(21)23-20(18)22/h6-7,9-10,17,20,22H,2-5,8,11-16H2,1H3
InChIKeyRNWMRPQPUVPJFK-UHFFFAOYSA-N
MW320.47 g/mol
LogP5.21
Rot. Bonds13

About 3-hexadeca-7,10-dienyl-2-hydroxy-2H-furan-5-one

3-hexadeca-7,10-dienyl-2-hydroxy-2H-furan-5-one (PubChem CID 54276647) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 3-hexadeca-7,10-dienyl-2-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name3-hexadeca-7,10-dienyl-2-hydroxy-2H-furan-5-one
PubChem CID54276647
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name3-hexadeca-7,10-dienyl-2-hydroxy-2H-furan-5-one
SMILESCCCCCC=CCC=CCCCCCCC1=CC(=O)OC1O
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19(21)23-20(18)22/h6-7,9-10,17,20,22H,2-5,8,11-16H2,1H3
InChIKeyRNWMRPQPUVPJFK-UHFFFAOYSA-N
XLogP5.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.47
LogP ≤ 55.21
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'}

Analyze 3-hexadeca-7,10-dienyl-2-hydroxy-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
2-hydroxy-3-[(E)-3-oxotetradec-1-enyl]-2H-furan-5-one
CID 14883458
(2R)-4-[(Z)-hexacos-17-enyl]-2-methyl-2H-furan-5-one
CID 10939489
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
1-dodec-6-enyl-3-heptylcyclopropene
CID 123978294
3-[(6Z,9Z,12Z)-docosa-6,9,12-trienyl]-5-hydroxy-5-methylfuran-2-one
CID 23425573
4-[(8Z,11Z)-heptadeca-8,11-dienyl]-2H-furan-5-one
CID 67084512
heptadeca-5,8,11-triene
CID 54101473
(5E,8E)-tetradeca-5,8-diene
CID 13430684
(9E,12Z)-N-[(3S,4S,5R)-4,5-dimethyl-2-oxooxolan-3-yl]octadeca-9,12-dienamide
CID 135163844

Frequently Asked Questions

What is the IUPAC name of 3-hexadeca-7,10-dienyl-2-hydroxy-2H-furan-5-one?
The IUPAC name of 3-hexadeca-7,10-dienyl-2-hydroxy-2H-furan-5-one (CID 54276647) is 3-hexadeca-7,10-dienyl-2-hydroxy-2H-furan-5-one.
What is the SMILES notation for 3-hexadeca-7,10-dienyl-2-hydroxy-2H-furan-5-one?
The canonical SMILES for 3-hexadeca-7,10-dienyl-2-hydroxy-2H-furan-5-one is CCCCCC=CCC=CCCCCCCC1=CC(=O)OC1O.
What is the InChIKey of 3-hexadeca-7,10-dienyl-2-hydroxy-2H-furan-5-one?
The InChIKey is RNWMRPQPUVPJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19(21)23-20(18)22/h6-7,9-10,17,20,22H,2-5,8,11-16H2,1H3.
What are the key properties of 3-hexadeca-7,10-dienyl-2-hydroxy-2H-furan-5-one?
3-hexadeca-7,10-dienyl-2-hydroxy-2H-furan-5-one has a molecular weight of 320.47 g/mol, XLogP of 5.21, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexadeca-7,10-dienyl-2-hydroxy-2H-furan-5-one is sourced from PubChem (CID 54276647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).