5-pent-3-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane

C20H36O4 — CID 57223493

IUPAC5-pent-3-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane
SMILESCC=CCCC1COC(CCC2COC(CCCCC)OC2)OC1
InChIInChI=1S/C20H36O4/c1-3-5-7-9-17-13-23-20(24-14-17)12-11-18-15-21-19(22-16-18)10-8-6-4-2/h3,5,17-20H,4,6-16H2,1-2H3
InChIKeyCPEZYYJZJNVSFN-UHFFFAOYSA-N
MW340.50 g/mol
LogP4.68
Rot. Bonds10

About 5-pent-3-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane

5-pent-3-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane (PubChem CID 57223493) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is 5-pent-3-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name5-pent-3-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane
PubChem CID57223493
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name5-pent-3-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane
SMILESCC=CCCC1COC(CCC2COC(CCCCC)OC2)OC1
InChIInChI=1S/C20H36O4/c1-3-5-7-9-17-13-23-20(24-14-17)12-11-18-15-21-19(22-16-18)10-8-6-4-2/h3,5,17-20H,4,6-16H2,1-2H3
InChIKeyCPEZYYJZJNVSFN-UHFFFAOYSA-N
XLogP4.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-pent-3-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane?
The IUPAC name of 5-pent-3-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane (CID 57223493) is 5-pent-3-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane.
What is the SMILES notation for 5-pent-3-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane?
The canonical SMILES for 5-pent-3-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane is CC=CCCC1COC(CCC2COC(CCCCC)OC2)OC1.
What is the InChIKey of 5-pent-3-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane?
The InChIKey is CPEZYYJZJNVSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O4/c1-3-5-7-9-17-13-23-20(24-14-17)12-11-18-15-21-19(22-16-18)10-8-6-4-2/h3,5,17-20H,4,6-16H2,1-2H3.
What are the key properties of 5-pent-3-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane?
5-pent-3-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane has a molecular weight of 340.50 g/mol, XLogP of 4.68, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pent-3-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane is sourced from PubChem (CID 57223493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).