(5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one

C18H16O2 — CID 6439344

IUPAC(5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one
SMILESCCCC#CC#C/C=C/C=C/C=C/C=C1/C=CC(=O)O1
InChIInChI=1S/C18H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(19)20-17/h8-16H,2-3H2,1H3/b9-8+,11-10+,13-12+,17-14-
InChIKeyJHEBXSRENKVLHY-WUHVYRHUSA-N
MW264.32 g/mol
LogP3.46
Rot. Bonds4

About (5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one

(5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one (PubChem CID 6439344) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one
PubChem CID6439344
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one
SMILESCCCC#CC#C/C=C/C=C/C=C/C=C1/C=CC(=O)O1
InChIInChI=1S/C18H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(19)20-17/h8-16H,2-3H2,1H3/b9-8+,11-10+,13-12+,17-14-
InChIKeyJHEBXSRENKVLHY-WUHVYRHUSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one with MolForge

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Related Compounds

Matricaria lactone
CID 6277481
(4Z)-Lachnophyllum Lactone
CID 5380634
6-Penta-1,3-diynylpyran-2-one
CID 265580
2(5H)-Furanone,4-hexadiynylidene)-
CID 5380631
(2E,8E,10E,12E,14Z)-14-(5-oxofuran-2-ylidene)tetradeca-2,8,10,12-tetraen-4,6-diynoic acid
CID 6439346
6-[(E)-prop-1-enyl]-pyran-2-one
CID 24972239
Dihydroxerulin
CID 131569
Xerulin
CID 131570
(5Z)-5-[(2E,4E,6E,12E)-tetradeca-2,4,6,12-tetraen-8,10-diynylidene]furan-2-one
CID 6439345
6-Prop-1-enylpyran-2-one
CID 74377084
(5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one
CID 6475136
Xerulinic acid
CID 131571

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one?
The IUPAC name of (5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one (CID 6439344) is (5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one.
What is the SMILES notation for (5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one?
The canonical SMILES for (5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one is CCCC#CC#C/C=C/C=C/C=C/C=C1/C=CC(=O)O1.
What is the InChIKey of (5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one?
The InChIKey is JHEBXSRENKVLHY-WUHVYRHUSA-N. The full InChI is InChI=1S/C18H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(19)20-17/h8-16H,2-3H2,1H3/b9-8+,11-10+,13-12+,17-14-.
What are the key properties of (5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one?
(5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one has a molecular weight of 264.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one is sourced from PubChem (CID 6439344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).