2-[(1E,3E)-hepta-1,3-dienyl]-1,3-dioxane

C11H18O2 — CID 87965048

IUPAC2-[(1E,3E)-hepta-1,3-dienyl]-1,3-dioxane
SMILESCCC/C=C/C=C/C1OCCCO1
InChIInChI=1S/C11H18O2/c1-2-3-4-5-6-8-11-12-9-7-10-13-11/h4-6,8,11H,2-3,7,9-10H2,1H3/b5-4+,8-6+
InChIKeyMBAXBZYQMOKNEO-DVBIZMGNSA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds4

About 2-[(1E,3E)-hepta-1,3-dienyl]-1,3-dioxane

2-[(1E,3E)-hepta-1,3-dienyl]-1,3-dioxane (PubChem CID 87965048) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-[(1E,3E)-hepta-1,3-dienyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[(1E,3E)-hepta-1,3-dienyl]-1,3-dioxane
PubChem CID87965048
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-[(1E,3E)-hepta-1,3-dienyl]-1,3-dioxane
SMILESCCC/C=C/C=C/C1OCCCO1
InChIInChI=1S/C11H18O2/c1-2-3-4-5-6-8-11-12-9-7-10-13-11/h4-6,8,11H,2-3,7,9-10H2,1H3/b5-4+,8-6+
InChIKeyMBAXBZYQMOKNEO-DVBIZMGNSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
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

2-[(1E,3E)-nona-1,3-dienyl]-1,3-dioxolane
CID 13244502
2-[(3Z,5E)-nona-3,5-dienoxy]oxane
CID 177457132
2-[(Z)-pent-1-enyl]oxolane
CID 11083976
2-[(E)-undec-1-enyl]-1,3-dioxolane
CID 170873891
tributyl-[4-(1,3-dioxolan-2-yl)buta-1,3-dienyl]stannane
CID 71358263
(4R,5S)-4-[(1E,3E)-hepta-1,3-dienyl]-5-methyloxolan-2-one
CID 131873050
2-[(1Z,4Z,6Z)-2-bromodeca-1,4,6-trienoxy]oxane
CID 102210291
CID 101368257
CID 101368257
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
CID 125486039
2-hept-3-enoxyoxetane
CID 54540025
octa-2,4-dien-1-amine
CID 3847298
3-ethyldeca-4,6-diene
CID 91239582

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E)-hepta-1,3-dienyl]-1,3-dioxane?
The IUPAC name of 2-[(1E,3E)-hepta-1,3-dienyl]-1,3-dioxane (CID 87965048) is 2-[(1E,3E)-hepta-1,3-dienyl]-1,3-dioxane.
What is the SMILES notation for 2-[(1E,3E)-hepta-1,3-dienyl]-1,3-dioxane?
The canonical SMILES for 2-[(1E,3E)-hepta-1,3-dienyl]-1,3-dioxane is CCC/C=C/C=C/C1OCCCO1.
What is the InChIKey of 2-[(1E,3E)-hepta-1,3-dienyl]-1,3-dioxane?
The InChIKey is MBAXBZYQMOKNEO-DVBIZMGNSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-4-5-6-8-11-12-9-7-10-13-11/h4-6,8,11H,2-3,7,9-10H2,1H3/b5-4+,8-6+.
What are the key properties of 2-[(1E,3E)-hepta-1,3-dienyl]-1,3-dioxane?
2-[(1E,3E)-hepta-1,3-dienyl]-1,3-dioxane has a molecular weight of 182.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E)-hepta-1,3-dienyl]-1,3-dioxane is sourced from PubChem (CID 87965048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).