(2E)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]non-3-ene

C13H16O2 — CID 91751298

IUPAC(2E)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]non-3-ene
SMILESC/C=C/C=C/C=C1\C=CC2(CCCO2)O1
InChIInChI=1S/C13H16O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h2-5,7-8,10H,6,9,11H2,1H3/b3-2+,5-4+,12-7+
InChIKeyZDRLUYUPSIVYOD-ZHMYCGPMSA-N
MW204.27 g/mol
LogP3.10
Rot. Bonds2

About (2E)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]non-3-ene

(2E)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]non-3-ene (PubChem CID 91751298) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2E)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name(2E)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]non-3-ene
PubChem CID91751298
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2E)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]non-3-ene
SMILESC/C=C/C=C/C=C1\C=CC2(CCCO2)O1
InChIInChI=1S/C13H16O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h2-5,7-8,10H,6,9,11H2,1H3/b3-2+,5-4+,12-7+
InChIKeyZDRLUYUPSIVYOD-ZHMYCGPMSA-N
XLogP3.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]non-3-ene with MolForge

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Related Compounds

Tonghaosu
CID 5352496
2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene
CID 103031
Tonghaosu, (Z)-
CID 5352494
Flosculin C
CID 11593812
Flosculin B
CID 11615555
(2E,5R)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene
CID 44575220
(2Z,5R)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene
CID 76960595
(2Z,5S)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene
CID 76960596
(2E,5S)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]non-3-ene
CID 76961451
(2Z,5S,7R)-2-hexa-2,4-diynylidene-7-methoxy-1,6-dioxaspiro[4.4]non-3-ene
CID 163007656
(2E,5S,7S)-2-hexa-2,4-diynylidene-7-methoxy-1,6-dioxaspiro[4.4]non-3-ene
CID 163007657
(Z)-2-(Hepta-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene
CID 91692753

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]non-3-ene?
The IUPAC name of (2E)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]non-3-ene (CID 91751298) is (2E)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]non-3-ene.
What is the SMILES notation for (2E)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]non-3-ene?
The canonical SMILES for (2E)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]non-3-ene is C/C=C/C=C/C=C1\C=CC2(CCCO2)O1.
What is the InChIKey of (2E)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]non-3-ene?
The InChIKey is ZDRLUYUPSIVYOD-ZHMYCGPMSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h2-5,7-8,10H,6,9,11H2,1H3/b3-2+,5-4+,12-7+.
What are the key properties of (2E)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]non-3-ene?
(2E)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]non-3-ene has a molecular weight of 204.27 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]non-3-ene is sourced from PubChem (CID 91751298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).