(2Z)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]nona-3,7-diene

C13H14O2 — CID 5352483

IUPAC(2Z)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]nona-3,7-diene
SMILESC/C=C/C=C/C=C1/C=CC2(CC=CO2)O1
InChIInChI=1S/C13H14O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h2-8,10-11H,9H2,1H3/b3-2+,5-4+,12-7-
InChIKeyMDHFLFFAHKTMIR-UAJIGUHOSA-N
MW202.25 g/mol
LogP3.22
Rot. Bonds2

About (2Z)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]nona-3,7-diene

(2Z)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]nona-3,7-diene (PubChem CID 5352483) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2Z)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]nona-3,7-diene.

Molecular Properties

Compound Name(2Z)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]nona-3,7-diene
PubChem CID5352483
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(2Z)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]nona-3,7-diene
SMILESC/C=C/C=C/C=C1/C=CC2(CC=CO2)O1
InChIInChI=1S/C13H14O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h2-8,10-11H,9H2,1H3/b3-2+,5-4+,12-7-
InChIKeyMDHFLFFAHKTMIR-UAJIGUHOSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]nona-3,7-diene?
The IUPAC name of (2Z)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]nona-3,7-diene (CID 5352483) is (2Z)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]nona-3,7-diene.
What is the SMILES notation for (2Z)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]nona-3,7-diene?
The canonical SMILES for (2Z)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]nona-3,7-diene is C/C=C/C=C/C=C1/C=CC2(CC=CO2)O1.
What is the InChIKey of (2Z)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]nona-3,7-diene?
The InChIKey is MDHFLFFAHKTMIR-UAJIGUHOSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h2-8,10-11H,9H2,1H3/b3-2+,5-4+,12-7-.
What are the key properties of (2Z)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]nona-3,7-diene?
(2Z)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]nona-3,7-diene has a molecular weight of 202.25 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2E,4E)-hexa-2,4-dienylidene]-1,6-dioxaspiro[4.4]nona-3,7-diene is sourced from PubChem (CID 5352483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).