(2E,3E)-2,3-di(ethylidene)-6-[(2Z,4E)-hepta-2,4-dien-4-yl]pyran-4-one;ethane

C18H26O2 — CID 143212024

IUPAC(2E,3E)-2,3-di(ethylidene)-6-[(2Z,4E)-hepta-2,4-dien-4-yl]pyran-4-one;ethane
SMILESC/C=C\C(=C/CC)c1cc(=O)c(=C/C)/c(=C\C)o1.CC
InChIInChI=1S/C16H20O2.C2H6/c1-5-9-12(10-6-2)16-11-14(17)13(7-3)15(8-4)18-16;1-2/h5,7-11H,6H2,1-4H3;1-2H3/b9-5-,12-10+,13-7-,15-8+;
InChIKeyRJIWTTQEFYPLQV-PZLFVBTCSA-N
MW274.40 g/mol
LogP3.64
Rot. Bonds3

About (2E,3E)-2,3-di(ethylidene)-6-[(2Z,4E)-hepta-2,4-dien-4-yl]pyran-4-one;ethane

(2E,3E)-2,3-di(ethylidene)-6-[(2Z,4E)-hepta-2,4-dien-4-yl]pyran-4-one;ethane (PubChem CID 143212024) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (2E,3E)-2,3-di(ethylidene)-6-[(2Z,4E)-hepta-2,4-dien-4-yl]pyran-4-one;ethane.

Molecular Properties

Compound Name(2E,3E)-2,3-di(ethylidene)-6-[(2Z,4E)-hepta-2,4-dien-4-yl]pyran-4-one;ethane
PubChem CID143212024
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(2E,3E)-2,3-di(ethylidene)-6-[(2Z,4E)-hepta-2,4-dien-4-yl]pyran-4-one;ethane
SMILESC/C=C\C(=C/CC)c1cc(=O)c(=C/C)/c(=C\C)o1.CC
InChIInChI=1S/C16H20O2.C2H6/c1-5-9-12(10-6-2)16-11-14(17)13(7-3)15(8-4)18-16;1-2/h5,7-11H,6H2,1-4H3;1-2H3/b9-5-,12-10+,13-7-,15-8+;
InChIKeyRJIWTTQEFYPLQV-PZLFVBTCSA-N
XLogP3.64
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyrenocine A
CID 6312351
5-But-2-enoyl-4-methoxy-6-methylpyran-2-one
CID 131296
Xanthene-1,8(2h)-dione
CID 87091738
Chromen-5(2h)-one
CID 138986898
4-Methoxy-6-methylidenecyclohexa-2,4-dien-1-one
CID 49842553
1,3-Bis(4,5,5-trimethyl-2-methylidene-2,5-dihydrofuran-3-yl)but-2-en-1-one
CID 129754208
(6Z)-3-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-one
CID 134876283
2-(4,8-dimethylnona-3,7-dienyl)-2,7-dimethyl-3H-chromen-5-one
CID 135025838
Pyrenocine H
CID 156023512
4-[5-(3,5-Dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 14924160
2-methyl-2H-1-benzofuran-4-one
CID 21326096
[1]benzopyran-7(8H)-one
CID 21416084

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2,3-di(ethylidene)-6-[(2Z,4E)-hepta-2,4-dien-4-yl]pyran-4-one;ethane?
The IUPAC name of (2E,3E)-2,3-di(ethylidene)-6-[(2Z,4E)-hepta-2,4-dien-4-yl]pyran-4-one;ethane (CID 143212024) is (2E,3E)-2,3-di(ethylidene)-6-[(2Z,4E)-hepta-2,4-dien-4-yl]pyran-4-one;ethane.
What is the SMILES notation for (2E,3E)-2,3-di(ethylidene)-6-[(2Z,4E)-hepta-2,4-dien-4-yl]pyran-4-one;ethane?
The canonical SMILES for (2E,3E)-2,3-di(ethylidene)-6-[(2Z,4E)-hepta-2,4-dien-4-yl]pyran-4-one;ethane is C/C=C\C(=C/CC)c1cc(=O)c(=C/C)/c(=C\C)o1.CC.
What is the InChIKey of (2E,3E)-2,3-di(ethylidene)-6-[(2Z,4E)-hepta-2,4-dien-4-yl]pyran-4-one;ethane?
The InChIKey is RJIWTTQEFYPLQV-PZLFVBTCSA-N. The full InChI is InChI=1S/C16H20O2.C2H6/c1-5-9-12(10-6-2)16-11-14(17)13(7-3)15(8-4)18-16;1-2/h5,7-11H,6H2,1-4H3;1-2H3/b9-5-,12-10+,13-7-,15-8+;.
What are the key properties of (2E,3E)-2,3-di(ethylidene)-6-[(2Z,4E)-hepta-2,4-dien-4-yl]pyran-4-one;ethane?
(2E,3E)-2,3-di(ethylidene)-6-[(2Z,4E)-hepta-2,4-dien-4-yl]pyran-4-one;ethane has a molecular weight of 274.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2,3-di(ethylidene)-6-[(2Z,4E)-hepta-2,4-dien-4-yl]pyran-4-one;ethane is sourced from PubChem (CID 143212024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).