2,3,3,5,5,6-hexamethyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane

C16H30O3 — CID 151934074

IUPAC2,3,3,5,5,6-hexamethyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane
SMILESCC=COCCCC1(C)OC(C)C(C)(C)OC1(C)C
InChIInChI=1S/C16H30O3/c1-8-11-17-12-9-10-16(7)15(5,6)19-14(3,4)13(2)18-16/h8,11,13H,9-10,12H2,1-7H3
InChIKeySZKKTBDRIREULJ-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.07
Rot. Bonds5

About 2,3,3,5,5,6-hexamethyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane

2,3,3,5,5,6-hexamethyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane (PubChem CID 151934074) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 2,3,3,5,5,6-hexamethyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane.

Molecular Properties

Compound Name2,3,3,5,5,6-hexamethyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane
PubChem CID151934074
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name2,3,3,5,5,6-hexamethyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane
SMILESCC=COCCCC1(C)OC(C)C(C)(C)OC1(C)C
InChIInChI=1S/C16H30O3/c1-8-11-17-12-9-10-16(7)15(5,6)19-14(3,4)13(2)18-16/h8,11,13H,9-10,12H2,1-7H3
InChIKeySZKKTBDRIREULJ-UHFFFAOYSA-N
XLogP4.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]-1,4-dioxane
CID 176604387

Frequently Asked Questions

What is the IUPAC name of 2,3,3,5,5,6-hexamethyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane?
The IUPAC name of 2,3,3,5,5,6-hexamethyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane (CID 151934074) is 2,3,3,5,5,6-hexamethyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane.
What is the SMILES notation for 2,3,3,5,5,6-hexamethyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane?
The canonical SMILES for 2,3,3,5,5,6-hexamethyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane is CC=COCCCC1(C)OC(C)C(C)(C)OC1(C)C.
What is the InChIKey of 2,3,3,5,5,6-hexamethyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane?
The InChIKey is SZKKTBDRIREULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-8-11-17-12-9-10-16(7)15(5,6)19-14(3,4)13(2)18-16/h8,11,13H,9-10,12H2,1-7H3.
What are the key properties of 2,3,3,5,5,6-hexamethyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane?
2,3,3,5,5,6-hexamethyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane has a molecular weight of 270.41 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,5,5,6-hexamethyl-2-(3-prop-1-enoxypropyl)-1,4-dioxane is sourced from PubChem (CID 151934074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).