(5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one

C12H8O2 — CID 6475136

IUPAC(5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one
SMILESC/C=C\C#CC#C/C=C1\C=CC(=O)O1
InChIInChI=1S/C12H8O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h2-3,8-10H,1H3/b3-2-,11-8+
InChIKeyKQBDGBICBAYCGE-IVAFBWBGSA-N
MW184.19 g/mol
LogP1.57
Rot. Bonds

About (5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one

(5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one (PubChem CID 6475136) has the molecular formula C12H8O2 and a molecular weight of 184.19 g/mol. Its IUPAC name is (5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one.

Molecular Properties

Compound Name(5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one
PubChem CID6475136
Molecular FormulaC12H8O2
Molecular Weight184.19 g/mol
Exact Mass184.05
IUPAC Name(5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one
SMILESC/C=C\C#CC#C/C=C1\C=CC(=O)O1
InChIInChI=1S/C12H8O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h2-3,8-10H,1H3/b3-2-,11-8+
InChIKeyKQBDGBICBAYCGE-IVAFBWBGSA-N
XLogP1.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Protoanemonin
CID 66948
Matricaria lactone
CID 6277481
2(5H)-Furanone,4-hexadiynylidene)-
CID 5380631
6-Penta-1,3-diynylpyran-2-one
CID 265580
(4Z)-Lachnophyllum Lactone
CID 5380634
(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
2,4-Decadiene-6-yn-4-olide
CID 265582
(5Z)-5-[(2E,4E,6E)-tetradeca-2,4,6-trien-8,10-diynylidene]furan-2-one
CID 6439344
(5Z)-5-[(2E,4E,6E,12E)-tetradeca-2,4,6,12-tetraen-8,10-diynylidene]furan-2-one
CID 6439345

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one?
The IUPAC name of (5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one (CID 6475136) is (5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one.
What is the SMILES notation for (5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one?
The canonical SMILES for (5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one is C/C=C\C#CC#C/C=C1\C=CC(=O)O1.
What is the InChIKey of (5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one?
The InChIKey is KQBDGBICBAYCGE-IVAFBWBGSA-N. The full InChI is InChI=1S/C12H8O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h2-3,8-10H,1H3/b3-2-,11-8+.
What are the key properties of (5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one?
(5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one has a molecular weight of 184.19 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-oct-6-en-2,4-diynylidene]furan-2-one is sourced from PubChem (CID 6475136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).