5-(3-but-1-enoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane

C16H30O3 — CID 152536600

IUPAC5-(3-but-1-enoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane
SMILESCCC=COCCCC1(C)COC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H30O3/c1-7-8-11-17-12-9-10-16(6)13-18-14(2,3)15(4,5)19-16/h8,11H,7,9-10,12-13H2,1-6H3
InChIKeyYKQZVFNNBZXQLW-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.07
Rot. Bonds6

About 5-(3-but-1-enoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane

5-(3-but-1-enoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane (PubChem CID 152536600) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 5-(3-but-1-enoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane.

Molecular Properties

Compound Name5-(3-but-1-enoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane
PubChem CID152536600
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name5-(3-but-1-enoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane
SMILESCCC=COCCCC1(C)COC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H30O3/c1-7-8-11-17-12-9-10-16(6)13-18-14(2,3)15(4,5)19-16/h8,11H,7,9-10,12-13H2,1-6H3
InChIKeyYKQZVFNNBZXQLW-UHFFFAOYSA-N
XLogP4.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane
CID 150894005
But-1-ene;5-(3-methoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane
CID 161926505
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane
CID 176604387

Frequently Asked Questions

What is the IUPAC name of 5-(3-but-1-enoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane?
The IUPAC name of 5-(3-but-1-enoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane (CID 152536600) is 5-(3-but-1-enoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane.
What is the SMILES notation for 5-(3-but-1-enoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane?
The canonical SMILES for 5-(3-but-1-enoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane is CCC=COCCCC1(C)COC(C)(C)C(C)(C)O1.
What is the InChIKey of 5-(3-but-1-enoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane?
The InChIKey is YKQZVFNNBZXQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-7-8-11-17-12-9-10-16(6)13-18-14(2,3)15(4,5)19-16/h8,11H,7,9-10,12-13H2,1-6H3.
What are the key properties of 5-(3-but-1-enoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane?
5-(3-but-1-enoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane has a molecular weight of 270.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-but-1-enoxypropyl)-2,2,3,3,5-pentamethyl-1,4-dioxane is sourced from PubChem (CID 152536600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).