5-[(E)-but-1-enyl]-1,3-dioxane

C8H14O2 — CID 86751242

IUPAC5-[(E)-but-1-enyl]-1,3-dioxane
SMILESCC/C=C/C1COCOC1
InChIInChI=1S/C8H14O2/c1-2-3-4-8-5-9-7-10-6-8/h3-4,8H,2,5-7H2,1H3/b4-3+
InChIKeyCXUJISYHYRSCTD-ONEGZZNKSA-N
MW142.20 g/mol
LogP1.57
Rot. Bonds2

About 5-[(E)-but-1-enyl]-1,3-dioxane

5-[(E)-but-1-enyl]-1,3-dioxane (PubChem CID 86751242) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-[(E)-but-1-enyl]-1,3-dioxane.

Molecular Properties

Compound Name5-[(E)-but-1-enyl]-1,3-dioxane
PubChem CID86751242
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name5-[(E)-but-1-enyl]-1,3-dioxane
SMILESCC/C=C/C1COCOC1
InChIInChI=1S/C8H14O2/c1-2-3-4-8-5-9-7-10-6-8/h3-4,8H,2,5-7H2,1H3/b4-3+
InChIKeyCXUJISYHYRSCTD-ONEGZZNKSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-but-1-enyl]cyclodecane
CID 173272598
3-[(Z)-but-1-enyl]azetidine
CID 126845384
1-[(E)-but-1-enyl]-4-methylcyclohexane
CID 21137229
4-[(E)-but-1-enyl]piperidine
CID 22015652
4-[(E)-but-1-enyl]cyclohexan-1-ol
CID 19739340
2-[2-[5-[(E)-but-1-enyl]-1,3-dioxan-2-yl]ethyl]propane-1,3-diol
CID 22910574
5-but-1-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane
CID 57218555
(E)-4-(oxetan-3-yl)but-3-enoic acid
CID 174180839
1-[(E)-but-1-enyl]-4-methoxycyclohexane
CID 149274595
3-but-1-enylpyrrolidine
CID 54030286
(3R,4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane
CID 101386813
6-ethyl-1,3,5-trioxepane
CID 139790395

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-1-enyl]-1,3-dioxane?
The IUPAC name of 5-[(E)-but-1-enyl]-1,3-dioxane (CID 86751242) is 5-[(E)-but-1-enyl]-1,3-dioxane.
What is the SMILES notation for 5-[(E)-but-1-enyl]-1,3-dioxane?
The canonical SMILES for 5-[(E)-but-1-enyl]-1,3-dioxane is CC/C=C/C1COCOC1.
What is the InChIKey of 5-[(E)-but-1-enyl]-1,3-dioxane?
The InChIKey is CXUJISYHYRSCTD-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-4-8-5-9-7-10-6-8/h3-4,8H,2,5-7H2,1H3/b4-3+.
What are the key properties of 5-[(E)-but-1-enyl]-1,3-dioxane?
5-[(E)-but-1-enyl]-1,3-dioxane has a molecular weight of 142.20 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-1-enyl]-1,3-dioxane is sourced from PubChem (CID 86751242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).