2-ethenyl-2-pentyl-1,3-dioxane

C11H20O2 — CID 174883758

IUPAC2-ethenyl-2-pentyl-1,3-dioxane
SMILESC=CC1(CCCCC)OCCCO1
InChIInChI=1S/C11H20O2/c1-3-5-6-8-11(4-2)12-9-7-10-13-11/h4H,2-3,5-10H2,1H3
InChIKeyAUNOWYRCBPVGRU-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds5

About 2-ethenyl-2-pentyl-1,3-dioxane

2-ethenyl-2-pentyl-1,3-dioxane (PubChem CID 174883758) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-ethenyl-2-pentyl-1,3-dioxane.

Molecular Properties

Compound Name2-ethenyl-2-pentyl-1,3-dioxane
PubChem CID174883758
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-ethenyl-2-pentyl-1,3-dioxane
SMILESC=CC1(CCCCC)OCCCO1
InChIInChI=1S/C11H20O2/c1-3-5-6-8-11(4-2)12-9-7-10-13-11/h4H,2-3,5-10H2,1H3
InChIKeyAUNOWYRCBPVGRU-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.89
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-ethenyl-2-pentyl-1,3-dioxane?
The IUPAC name of 2-ethenyl-2-pentyl-1,3-dioxane (CID 174883758) is 2-ethenyl-2-pentyl-1,3-dioxane.
What is the SMILES notation for 2-ethenyl-2-pentyl-1,3-dioxane?
The canonical SMILES for 2-ethenyl-2-pentyl-1,3-dioxane is C=CC1(CCCCC)OCCCO1.
What is the InChIKey of 2-ethenyl-2-pentyl-1,3-dioxane?
The InChIKey is AUNOWYRCBPVGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-6-8-11(4-2)12-9-7-10-13-11/h4H,2-3,5-10H2,1H3.
What are the key properties of 2-ethenyl-2-pentyl-1,3-dioxane?
2-ethenyl-2-pentyl-1,3-dioxane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-pentyl-1,3-dioxane is sourced from PubChem (CID 174883758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).