2-hexyl-5-prop-2-enoxy-1,3-dioxane

C13H24O3 — CID 171064910

IUPAC2-hexyl-5-prop-2-enoxy-1,3-dioxane
SMILESC=CCOC1COC(CCCCCC)OC1
InChIInChI=1S/C13H24O3/c1-3-5-6-7-8-13-15-10-12(11-16-13)14-9-4-2/h4,12-13H,2-3,5-11H2,1H3
InChIKeyKNXCTGAGMPCAKQ-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.90
Rot. Bonds8

About 2-hexyl-5-prop-2-enoxy-1,3-dioxane

2-hexyl-5-prop-2-enoxy-1,3-dioxane (PubChem CID 171064910) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-hexyl-5-prop-2-enoxy-1,3-dioxane.

Molecular Properties

Compound Name2-hexyl-5-prop-2-enoxy-1,3-dioxane
PubChem CID171064910
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-hexyl-5-prop-2-enoxy-1,3-dioxane
SMILESC=CCOC1COC(CCCCCC)OC1
InChIInChI=1S/C13H24O3/c1-3-5-6-7-8-13-15-10-12(11-16-13)14-9-4-2/h4,12-13H,2-3,5-11H2,1H3
InChIKeyKNXCTGAGMPCAKQ-UHFFFAOYSA-N
XLogP2.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-[2-[2-[2-[2-[2-[(2-undecyl-1,3-dioxan-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 168787558
ethene;2-hexadecyloxirane
CID 174880180
2-hexadecyloxirane;tetradecane
CID 174899291
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
2-tetratetracontyloxirane
CID 102093754
(2S,4R)-4-methyl-2-nonyl-1,3-dioxolane
CID 76959550
(2R,4R)-4-methyl-2-octyl-1,3-dioxolane
CID 76956297
(2R,4S)-4-methyl-2-nonyl-1,3-dioxolane
CID 76959551

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-5-prop-2-enoxy-1,3-dioxane?
The IUPAC name of 2-hexyl-5-prop-2-enoxy-1,3-dioxane (CID 171064910) is 2-hexyl-5-prop-2-enoxy-1,3-dioxane.
What is the SMILES notation for 2-hexyl-5-prop-2-enoxy-1,3-dioxane?
The canonical SMILES for 2-hexyl-5-prop-2-enoxy-1,3-dioxane is C=CCOC1COC(CCCCCC)OC1.
What is the InChIKey of 2-hexyl-5-prop-2-enoxy-1,3-dioxane?
The InChIKey is KNXCTGAGMPCAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-5-6-7-8-13-15-10-12(11-16-13)14-9-4-2/h4,12-13H,2-3,5-11H2,1H3.
What are the key properties of 2-hexyl-5-prop-2-enoxy-1,3-dioxane?
2-hexyl-5-prop-2-enoxy-1,3-dioxane has a molecular weight of 228.33 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5-prop-2-enoxy-1,3-dioxane is sourced from PubChem (CID 171064910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).