2-ethyl-5-[2-[5-[(Z)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane

C15H26O4 — CID 70186654

IUPAC2-ethyl-5-[2-[5-[(Z)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane
SMILESC/C=C\C1COC(CCC2COC(CC)OC2)OC1
InChIInChI=1S/C15H26O4/c1-3-5-12-8-18-15(19-9-12)7-6-13-10-16-14(4-2)17-11-13/h3,5,12-15H,4,6-11H2,1-2H3/b5-3-
InChIKeyXHSXUTJPUADORE-HYXAFXHYSA-N
MW270.37 g/mol
LogP2.73
Rot. Bonds5

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

2-ethyl-5-[2-[5-[(Z)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane (PubChem CID 70186654) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-ethyl-5-[2-[5-[(Z)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-ethyl-5-[2-[5-[(Z)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane
PubChem CID70186654
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2-ethyl-5-[2-[5-[(Z)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane
SMILESC/C=C\C1COC(CCC2COC(CC)OC2)OC1
InChIInChI=1S/C15H26O4/c1-3-5-12-8-18-15(19-9-12)7-6-13-10-16-14(4-2)17-11-13/h3,5,12-15H,4,6-11H2,1-2H3/b5-3-
InChIKeyXHSXUTJPUADORE-HYXAFXHYSA-N
XLogP2.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-ethyl-5-[2-[5-[(Z)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-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 2-ethyl-5-[2-[5-[(Z)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane?
The IUPAC name of 2-ethyl-5-[2-[5-[(Z)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane (CID 70186654) is 2-ethyl-5-[2-[5-[(Z)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane.
What is the SMILES notation for 2-ethyl-5-[2-[5-[(Z)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane?
The canonical SMILES for 2-ethyl-5-[2-[5-[(Z)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane is C/C=C\C1COC(CCC2COC(CC)OC2)OC1.
What is the InChIKey of 2-ethyl-5-[2-[5-[(Z)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane?
The InChIKey is XHSXUTJPUADORE-HYXAFXHYSA-N. The full InChI is InChI=1S/C15H26O4/c1-3-5-12-8-18-15(19-9-12)7-6-13-10-16-14(4-2)17-11-13/h3,5,12-15H,4,6-11H2,1-2H3/b5-3-.
What are the key properties of 2-ethyl-5-[2-[5-[(Z)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane?
2-ethyl-5-[2-[5-[(Z)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane has a molecular weight of 270.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[2-[5-[(Z)-prop-1-enyl]-1,3-dioxan-2-yl]ethyl]-1,3-dioxane is sourced from PubChem (CID 70186654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).