2-pent-4-enyl-1,3-dioxane

C9H16O2 — CID 10059263

IUPAC2-pent-4-enyl-1,3-dioxane
SMILESC=CCCCC1OCCCO1
InChIInChI=1S/C9H16O2/c1-2-3-4-6-9-10-7-5-8-11-9/h2,9H,1,3-8H2
InChIKeyIGECLBSWTBPFMG-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds4

About 2-pent-4-enyl-1,3-dioxane

2-pent-4-enyl-1,3-dioxane (PubChem CID 10059263) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-pent-4-enyl-1,3-dioxane.

Molecular Properties

Compound Name2-pent-4-enyl-1,3-dioxane
PubChem CID10059263
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-pent-4-enyl-1,3-dioxane
SMILESC=CCCCC1OCCCO1
InChIInChI=1S/C9H16O2/c1-2-3-4-6-9-10-7-5-8-11-9/h2,9H,1,3-8H2
InChIKeyIGECLBSWTBPFMG-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pent-4-enyl-1,3-dioxane?
The IUPAC name of 2-pent-4-enyl-1,3-dioxane (CID 10059263) is 2-pent-4-enyl-1,3-dioxane.
What is the SMILES notation for 2-pent-4-enyl-1,3-dioxane?
The canonical SMILES for 2-pent-4-enyl-1,3-dioxane is C=CCCCC1OCCCO1.
What is the InChIKey of 2-pent-4-enyl-1,3-dioxane?
The InChIKey is IGECLBSWTBPFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-4-6-9-10-7-5-8-11-9/h2,9H,1,3-8H2.
What are the key properties of 2-pent-4-enyl-1,3-dioxane?
2-pent-4-enyl-1,3-dioxane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enyl-1,3-dioxane is sourced from PubChem (CID 10059263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).