5-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-6-ethenyl-2-methyl-2,3-dihydro-1,4-dioxine

C16H20O2 — CID 143496598

IUPAC5-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-6-ethenyl-2-methyl-2,3-dihydro-1,4-dioxine
SMILESC=CC(=C)C(=CC1=C(C=C)OC(C)CO1)/C=C\C
InChIInChI=1S/C16H20O2/c1-6-9-14(12(4)7-2)10-16-15(8-3)18-13(5)11-17-16/h6-10,13H,2-4,11H2,1,5H3/b9-6-,14-10-
InChIKeyDZFHPWFFORAFPG-LJYMPUJESA-N
MW244.33 g/mol
LogP4.06
Rot. Bonds5

About 5-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-6-ethenyl-2-methyl-2,3-dihydro-1,4-dioxine

5-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-6-ethenyl-2-methyl-2,3-dihydro-1,4-dioxine (PubChem CID 143496598) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 5-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-6-ethenyl-2-methyl-2,3-dihydro-1,4-dioxine.

Molecular Properties

Compound Name5-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-6-ethenyl-2-methyl-2,3-dihydro-1,4-dioxine
PubChem CID143496598
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name5-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-6-ethenyl-2-methyl-2,3-dihydro-1,4-dioxine
SMILESC=CC(=C)C(=CC1=C(C=C)OC(C)CO1)/C=C\C
InChIInChI=1S/C16H20O2/c1-6-9-14(12(4)7-2)10-16-15(8-3)18-13(5)11-17-16/h6-10,13H,2-4,11H2,1,5H3/b9-6-,14-10-
InChIKeyDZFHPWFFORAFPG-LJYMPUJESA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.06
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 5-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-6-ethenyl-2-methyl-2,3-dihydro-1,4-dioxine?
The IUPAC name of 5-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-6-ethenyl-2-methyl-2,3-dihydro-1,4-dioxine (CID 143496598) is 5-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-6-ethenyl-2-methyl-2,3-dihydro-1,4-dioxine.
What is the SMILES notation for 5-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-6-ethenyl-2-methyl-2,3-dihydro-1,4-dioxine?
The canonical SMILES for 5-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-6-ethenyl-2-methyl-2,3-dihydro-1,4-dioxine is C=CC(=C)C(=CC1=C(C=C)OC(C)CO1)/C=C\C.
What is the InChIKey of 5-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-6-ethenyl-2-methyl-2,3-dihydro-1,4-dioxine?
The InChIKey is DZFHPWFFORAFPG-LJYMPUJESA-N. The full InChI is InChI=1S/C16H20O2/c1-6-9-14(12(4)7-2)10-16-15(8-3)18-13(5)11-17-16/h6-10,13H,2-4,11H2,1,5H3/b9-6-,14-10-.
What are the key properties of 5-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-6-ethenyl-2-methyl-2,3-dihydro-1,4-dioxine?
5-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-6-ethenyl-2-methyl-2,3-dihydro-1,4-dioxine has a molecular weight of 244.33 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-6-ethenyl-2-methyl-2,3-dihydro-1,4-dioxine is sourced from PubChem (CID 143496598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).