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

C20H36O4 — CID 22910733

IUPAC5-[(E)-pent-3-enyl]-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane
SMILESC/C=C/CCC1COC(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/b5-3+
InChIKeyCPEZYYJZJNVSFN-HWKANZROSA-N
MW340.50 g/mol
LogP4.68
Rot. Bonds10

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

5-[(E)-pent-3-enyl]-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane (PubChem CID 22910733) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is 5-[(E)-pent-3-enyl]-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane.

Molecular Properties

Compound Name5-[(E)-pent-3-enyl]-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane
PubChem CID22910733
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name5-[(E)-pent-3-enyl]-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane
SMILESC/C=C/CCC1COC(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/b5-3+
InChIKeyCPEZYYJZJNVSFN-HWKANZROSA-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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Related Compounds

5-but-1-enyl-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane
CID 57218555
2-[2-(4-fluorocyclohex-3-en-1-yl)ethyl]-5-pent-3-enyl-1,3-dioxane
CID 54334191
2-(4-butylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane;2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
CID 162195282
2-butyl-5-ethyl-1,3-dioxane
CID 89076507
5-heptyl-2-(methoxymethyl)-1,3-dioxane
CID 58718914
2-(4-ethylcyclohexyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
CID 22910567
2-ethyl-5-[2-[5-[(Z)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane
CID 70186654
2,5-dipropyl-1,3-dioxane
CID 21043213
1-hexoxy-4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]cyclohexane
CID 67806291
2-(4-butylcyclohexyl)-5-[2-(5-prop-1-enyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
CID 54348466
1-pent-3-enyl-4-propylcyclohexane
CID 72599468
2-(4-fluorophenyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxane
CID 22910587

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-pent-3-enyl]-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane?
The IUPAC name of 5-[(E)-pent-3-enyl]-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane (CID 22910733) is 5-[(E)-pent-3-enyl]-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane.
What is the SMILES notation for 5-[(E)-pent-3-enyl]-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane?
The canonical SMILES for 5-[(E)-pent-3-enyl]-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane is C/C=C/CCC1COC(CCC2COC(CCCCC)OC2)OC1.
What is the InChIKey of 5-[(E)-pent-3-enyl]-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane?
The InChIKey is CPEZYYJZJNVSFN-HWKANZROSA-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/b5-3+.
What are the key properties of 5-[(E)-pent-3-enyl]-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane?
5-[(E)-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-[(E)-pent-3-enyl]-2-[2-(2-pentyl-1,3-dioxan-5-yl)ethyl]-1,3-dioxane is sourced from PubChem (CID 22910733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).