4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxane

C8H14O2 — CID 5354337

IUPAC4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxane
SMILESC/C=C/C1OCCC(C)O1
InChIInChI=1S/C8H14O2/c1-3-4-8-9-6-5-7(2)10-8/h3-4,7-8H,5-6H2,1-2H3/b4-3+
InChIKeyZZKFSHUEAJNBOX-ONEGZZNKSA-N
MW142.20 g/mol
LogP1.71
Rot. Bonds1

About 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxane

4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxane (PubChem CID 5354337) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxane.

Molecular Properties

Compound Name4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxane
PubChem CID5354337
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxane
SMILESC/C=C/C1OCCC(C)O1
InChIInChI=1S/C8H14O2/c1-3-4-8-9-6-5-7(2)10-8/h3-4,7-8H,5-6H2,1-2H3/b4-3+
InChIKeyZZKFSHUEAJNBOX-ONEGZZNKSA-N
XLogP1.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxane?
The IUPAC name of 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxane (CID 5354337) is 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxane.
What is the SMILES notation for 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxane?
The canonical SMILES for 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxane is C/C=C/C1OCCC(C)O1.
What is the InChIKey of 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxane?
The InChIKey is ZZKFSHUEAJNBOX-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-4-8-9-6-5-7(2)10-8/h3-4,7-8H,5-6H2,1-2H3/b4-3+.
What are the key properties of 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxane?
4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxane has a molecular weight of 142.20 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxane is sourced from PubChem (CID 5354337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).