4,5-bis(ethenyl)-2-pentyl-1,3-dioxane

C13H22O2 — CID 174949620

IUPAC4,5-bis(ethenyl)-2-pentyl-1,3-dioxane
SMILESC=CC1COC(CCCCC)OC1C=C
InChIInChI=1S/C13H22O2/c1-4-7-8-9-13-14-10-11(5-2)12(6-3)15-13/h5-6,11-13H,2-4,7-10H2,1H3
InChIKeyBLCUEWVZUPYKFG-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.30
Rot. Bonds6

About 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane

4,5-bis(ethenyl)-2-pentyl-1,3-dioxane (PubChem CID 174949620) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2-pentyl-1,3-dioxane
PubChem CID174949620
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4,5-bis(ethenyl)-2-pentyl-1,3-dioxane
SMILESC=CC1COC(CCCCC)OC1C=C
InChIInChI=1S/C13H22O2/c1-4-7-8-9-13-14-10-11(5-2)12(6-3)15-13/h5-6,11-13H,2-4,7-10H2,1H3
InChIKeyBLCUEWVZUPYKFG-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.30
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'}

Analyze 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane?
The IUPAC name of 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane (CID 174949620) is 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane.
What is the SMILES notation for 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane?
The canonical SMILES for 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane is C=CC1COC(CCCCC)OC1C=C.
What is the InChIKey of 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane?
The InChIKey is BLCUEWVZUPYKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-4-7-8-9-13-14-10-11(5-2)12(6-3)15-13/h5-6,11-13H,2-4,7-10H2,1H3.
What are the key properties of 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane?
4,5-bis(ethenyl)-2-pentyl-1,3-dioxane has a molecular weight of 210.32 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-2-pentyl-1,3-dioxane is sourced from PubChem (CID 174949620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).