4-(3-prop-1-enoxypropyl)trioxane

C9H16O4 — CID 150733781

IUPAC4-(3-prop-1-enoxypropyl)trioxane
SMILESCC=COCCCC1CCOOO1
InChIInChI=1S/C9H16O4/c1-2-6-10-7-3-4-9-5-8-11-13-12-9/h2,6,9H,3-5,7-8H2,1H3
InChIKeyJSJYFYTWIVZDLR-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.97
Rot. Bonds5

About 4-(3-prop-1-enoxypropyl)trioxane

4-(3-prop-1-enoxypropyl)trioxane (PubChem CID 150733781) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 4-(3-prop-1-enoxypropyl)trioxane.

Molecular Properties

Compound Name4-(3-prop-1-enoxypropyl)trioxane
PubChem CID150733781
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name4-(3-prop-1-enoxypropyl)trioxane
SMILESCC=COCCCC1CCOOO1
InChIInChI=1S/C9H16O4/c1-2-6-10-7-3-4-9-5-8-11-13-12-9/h2,6,9H,3-5,7-8H2,1H3
InChIKeyJSJYFYTWIVZDLR-UHFFFAOYSA-N
XLogP1.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[(E)-prop-1-enoxy]cyclohexane
CID 22222058
1,4-Bis(prop-1-enoxy)cyclohexane
CID 86552
4-(3-But-1-enoxypropyl)trioxane
CID 152326038
4-Methoxy-4-propyltrioxane;prop-1-ene
CID 158915075
2-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176605307

Frequently Asked Questions

What is the IUPAC name of 4-(3-prop-1-enoxypropyl)trioxane?
The IUPAC name of 4-(3-prop-1-enoxypropyl)trioxane (CID 150733781) is 4-(3-prop-1-enoxypropyl)trioxane.
What is the SMILES notation for 4-(3-prop-1-enoxypropyl)trioxane?
The canonical SMILES for 4-(3-prop-1-enoxypropyl)trioxane is CC=COCCCC1CCOOO1.
What is the InChIKey of 4-(3-prop-1-enoxypropyl)trioxane?
The InChIKey is JSJYFYTWIVZDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-2-6-10-7-3-4-9-5-8-11-13-12-9/h2,6,9H,3-5,7-8H2,1H3.
What are the key properties of 4-(3-prop-1-enoxypropyl)trioxane?
4-(3-prop-1-enoxypropyl)trioxane has a molecular weight of 188.22 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-prop-1-enoxypropyl)trioxane is sourced from PubChem (CID 150733781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).