4-[(8Z,11Z)-heptadeca-8,11-dienyl]-2H-furan-5-one

C21H34O2 — CID 67084512

IUPAC4-[(8Z,11Z)-heptadeca-8,11-dienyl]-2H-furan-5-one
SMILESCCCCC/C=C\C/C=C\CCCCCCCC1=CCOC1=O
InChIInChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19-23-21(20)22/h6-7,9-10,18H,2-5,8,11-17,19H2,1H3/b7-6-,10-9-
InChIKeyIDIKWNZCTGYJTJ-HZJYTTRNSA-N
MW318.50 g/mol
LogP6.28
Rot. Bonds14

About 4-[(8Z,11Z)-heptadeca-8,11-dienyl]-2H-furan-5-one

4-[(8Z,11Z)-heptadeca-8,11-dienyl]-2H-furan-5-one (PubChem CID 67084512) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is 4-[(8Z,11Z)-heptadeca-8,11-dienyl]-2H-furan-5-one.

Molecular Properties

Compound Name4-[(8Z,11Z)-heptadeca-8,11-dienyl]-2H-furan-5-one
PubChem CID67084512
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Name4-[(8Z,11Z)-heptadeca-8,11-dienyl]-2H-furan-5-one
SMILESCCCCC/C=C\C/C=C\CCCCCCCC1=CCOC1=O
InChIInChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19-23-21(20)22/h6-7,9-10,18H,2-5,8,11-17,19H2,1H3/b7-6-,10-9-
InChIKeyIDIKWNZCTGYJTJ-HZJYTTRNSA-N
XLogP6.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(8Z,11Z)-heptadeca-8,11-dienyl]-2H-furan-5-one with MolForge

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Related Compounds

3-[(6Z,9Z,12Z)-docosa-6,9,12-trienyl]-5-hydroxy-5-methylfuran-2-one
CID 23425573
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(2R)-4-[(Z)-hexacos-17-enyl]-2-methyl-2H-furan-5-one
CID 10939489
docosa-4,7,11-triene
CID 141035180
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
2-[(6Z,9Z)-heptadeca-6,9-dienyl]furan
CID 67684448
heptadeca-5,8,11-triene
CID 54101473
(5E,8E)-tetradeca-5,8-diene
CID 13430684
(15Z,18Z)-tetracosa-15,18-dienal
CID 139535965
(2S)-4-[(E)-16-[(2S,3S)-3-dodecyloxiran-2-yl]hexadec-13-enyl]-2-methyl-2H-furan-5-one
CID 154496528

Frequently Asked Questions

What is the IUPAC name of 4-[(8Z,11Z)-heptadeca-8,11-dienyl]-2H-furan-5-one?
The IUPAC name of 4-[(8Z,11Z)-heptadeca-8,11-dienyl]-2H-furan-5-one (CID 67084512) is 4-[(8Z,11Z)-heptadeca-8,11-dienyl]-2H-furan-5-one.
What is the SMILES notation for 4-[(8Z,11Z)-heptadeca-8,11-dienyl]-2H-furan-5-one?
The canonical SMILES for 4-[(8Z,11Z)-heptadeca-8,11-dienyl]-2H-furan-5-one is CCCCC/C=C\C/C=C\CCCCCCCC1=CCOC1=O.
What is the InChIKey of 4-[(8Z,11Z)-heptadeca-8,11-dienyl]-2H-furan-5-one?
The InChIKey is IDIKWNZCTGYJTJ-HZJYTTRNSA-N. The full InChI is InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19-23-21(20)22/h6-7,9-10,18H,2-5,8,11-17,19H2,1H3/b7-6-,10-9-.
What are the key properties of 4-[(8Z,11Z)-heptadeca-8,11-dienyl]-2H-furan-5-one?
4-[(8Z,11Z)-heptadeca-8,11-dienyl]-2H-furan-5-one has a molecular weight of 318.50 g/mol, XLogP of 6.28, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8Z,11Z)-heptadeca-8,11-dienyl]-2H-furan-5-one is sourced from PubChem (CID 67084512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).