5-hexoxy-2-prop-1-enyl-1,3-dioxane

C13H24O3 — CID 91214872

IUPAC5-hexoxy-2-prop-1-enyl-1,3-dioxane
SMILESCC=CC1OCC(OCCCCCC)CO1
InChIInChI=1S/C13H24O3/c1-3-5-6-7-9-14-12-10-15-13(8-4-2)16-11-12/h4,8,12-13H,3,5-7,9-11H2,1-2H3
InChIKeyFRYMYVINHWKTTI-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.90
Rot. Bonds7

About 5-hexoxy-2-prop-1-enyl-1,3-dioxane

5-hexoxy-2-prop-1-enyl-1,3-dioxane (PubChem CID 91214872) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 5-hexoxy-2-prop-1-enyl-1,3-dioxane.

Molecular Properties

Compound Name5-hexoxy-2-prop-1-enyl-1,3-dioxane
PubChem CID91214872
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name5-hexoxy-2-prop-1-enyl-1,3-dioxane
SMILESCC=CC1OCC(OCCCCCC)CO1
InChIInChI=1S/C13H24O3/c1-3-5-6-7-9-14-12-10-15-13(8-4-2)16-11-12/h4,8,12-13H,3,5-7,9-11H2,1-2H3
InChIKeyFRYMYVINHWKTTI-UHFFFAOYSA-N
XLogP2.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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

5-Ethyl-2-prop-1-enyl-4-propyl-1,3-dioxane
CID 221667
Propenyl-4-methyl 1,3-dioxane
CID 221620
(2S,3R,4S,5R,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 10871930
4-methyl-2-[(E)-prop-1-enyl]-1,3-dioxane
CID 5354337
(4R,6R)-4,6-dimethyl-2-[(E)-prop-1-enyl]-1,3-dioxane
CID 13719312
(2S,3R,4S,5S,6R)-2-methoxy-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 14729598
(2R,4S,5R)-4-but-3-enyl-2-methyl-5-[(3R)-pent-1-en-3-yl]oxy-1,3-dioxane
CID 134882515
(2R,4aR,6R,7Z,10aS)-6-ethyl-2-methyl-4,4a,6,9,10,10a-hexahydro-[1,3]dioxino[5,4-b]oxocine
CID 134996028
(2S,3R,4S,6S)-2-methoxy-3,4-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 146018804
(2R,3S,4S,5R,6R)-2-(allyloxy)-3,4,5-trimethoxy-6-(methoxymethyl)tetrahydro-2H-pyran
CID 163409518
(2R,3R,4R,6R)-6-(allyloxy)-3,4-dimethoxy-2-(methoxymethyl)tetrahydro-2H-pyran
CID 163409519
(2S,3R,4R,5S,6S)-2-(allyloxy)-3,4,5-trimethoxy-6-methyltetrahydro-2H-pyran
CID 163409546

Frequently Asked Questions

What is the IUPAC name of 5-hexoxy-2-prop-1-enyl-1,3-dioxane?
The IUPAC name of 5-hexoxy-2-prop-1-enyl-1,3-dioxane (CID 91214872) is 5-hexoxy-2-prop-1-enyl-1,3-dioxane.
What is the SMILES notation for 5-hexoxy-2-prop-1-enyl-1,3-dioxane?
The canonical SMILES for 5-hexoxy-2-prop-1-enyl-1,3-dioxane is CC=CC1OCC(OCCCCCC)CO1.
What is the InChIKey of 5-hexoxy-2-prop-1-enyl-1,3-dioxane?
The InChIKey is FRYMYVINHWKTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-5-6-7-9-14-12-10-15-13(8-4-2)16-11-12/h4,8,12-13H,3,5-7,9-11H2,1-2H3.
What are the key properties of 5-hexoxy-2-prop-1-enyl-1,3-dioxane?
5-hexoxy-2-prop-1-enyl-1,3-dioxane has a molecular weight of 228.33 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexoxy-2-prop-1-enyl-1,3-dioxane is sourced from PubChem (CID 91214872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).