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

C20H36O4 — CID 57287518

IUPAC5-pent-1-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane
SMILESCCCCCC1OCC(CO1)CCC2OCC(CO2)C=CCCC
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/h7,9,17-20H,3-6,8,10-16H2,1-2H3
InChIKeyQWVPLHDKQVVLJF-UHFFFAOYSA-N
MW340.50 g/mol
LogP4.90
Rot. Bonds10

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

5-Pent-1-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane (PubChem CID 57287518) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is 5-pent-1-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name5-Pent-1-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane
PubChem CID57287518
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name5-pent-1-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane
SMILESCCCCCC1OCC(CO1)CCC2OCC(CO2)C=CCCC
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/h7,9,17-20H,3-6,8,10-16H2,1-2H3
InChIKeyQWVPLHDKQVVLJF-UHFFFAOYSA-N
XLogP4.90
TPSA36.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity329

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.90
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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Related Compounds

2-[(E)-12-(oxan-2-yloxy)dodec-6-enoxy]oxane
CID 134983458
5-[(E)-but-1-enyl]-2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]-1,3-dioxane
CID 22876746
2-(4-fluorocyclohex-3-en-1-yl)-5-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]-1,3-dioxane
CID 22876772
5-Butyl-2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]-1,3-dioxane
CID 22876807
5-[(E)-but-1-enyl]-2-[2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane
CID 22910570
2-(4-Fluorocyclohex-3-en-1-yl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
CID 22910571
2-(4-fluorocyclohex-3-en-1-yl)-5-[2-[5-[(E)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane
CID 22910584
5-Butyl-2-[2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane
CID 22910618
2-(4-Fluorocyclohex-3-en-1-yl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
CID 22910638
2-(4-Fluorocyclohex-3-en-1-yl)-5-(5-prop-1-enyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 53637296
5-But-1-enyl-2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]-1,3-dioxane
CID 53682490
5-But-1-enyl-2-[2-[2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxan-5-yl]ethyl]-1,3-dioxane
CID 53952682

Frequently Asked Questions

What is the IUPAC name of 5-Pent-1-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane?
The IUPAC name of 5-Pent-1-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane (CID 57287518) is 5-pent-1-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane.
What is the SMILES notation for 5-Pent-1-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane?
The canonical SMILES for 5-Pent-1-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane is CCCCCC1OCC(CO1)CCC2OCC(CO2)C=CCCC.
What is the InChIKey of 5-Pent-1-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane?
The InChIKey is QWVPLHDKQVVLJF-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/h7,9,17-20H,3-6,8,10-16H2,1-2H3.
What are the key properties of 5-Pent-1-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane?
5-Pent-1-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 4.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Pent-1-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane is sourced from PubChem (CID 57287518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).