(4R,6R)-4,6-ditert-butyl-2-ethenyl-5-methyl-1,3-dioxane

C15H28O2 — CID 135210617

IUPAC(4R,6R)-4,6-ditert-butyl-2-ethenyl-5-methyl-1,3-dioxane
SMILESC=CC1O[C@@H](C(C)(C)C)C(C)[C@H](C(C)(C)C)O1
InChIInChI=1S/C15H28O2/c1-9-11-16-12(14(3,4)5)10(2)13(17-11)15(6,7)8/h9-13H,1H2,2-8H3/t10?,11?,12-,13-/m1/s1
InChIKeyKHHAONJRMAYTKK-FIYWTHMPSA-N
MW240.39 g/mol
LogP4.01
Rot. Bonds1

About (4R,6R)-4,6-ditert-butyl-2-ethenyl-5-methyl-1,3-dioxane

(4R,6R)-4,6-ditert-butyl-2-ethenyl-5-methyl-1,3-dioxane (PubChem CID 135210617) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (4R,6R)-4,6-ditert-butyl-2-ethenyl-5-methyl-1,3-dioxane.

Molecular Properties

Compound Name(4R,6R)-4,6-ditert-butyl-2-ethenyl-5-methyl-1,3-dioxane
PubChem CID135210617
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(4R,6R)-4,6-ditert-butyl-2-ethenyl-5-methyl-1,3-dioxane
SMILESC=CC1O[C@@H](C(C)(C)C)C(C)[C@H](C(C)(C)C)O1
InChIInChI=1S/C15H28O2/c1-9-11-16-12(14(3,4)5)10(2)13(17-11)15(6,7)8/h9-13H,1H2,2-8H3/t10?,11?,12-,13-/m1/s1
InChIKeyKHHAONJRMAYTKK-FIYWTHMPSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4,6-ditert-butyl-2-ethenyl-5-methyl-1,3-dioxane?
The IUPAC name of (4R,6R)-4,6-ditert-butyl-2-ethenyl-5-methyl-1,3-dioxane (CID 135210617) is (4R,6R)-4,6-ditert-butyl-2-ethenyl-5-methyl-1,3-dioxane.
What is the SMILES notation for (4R,6R)-4,6-ditert-butyl-2-ethenyl-5-methyl-1,3-dioxane?
The canonical SMILES for (4R,6R)-4,6-ditert-butyl-2-ethenyl-5-methyl-1,3-dioxane is C=CC1O[C@@H](C(C)(C)C)C(C)[C@H](C(C)(C)C)O1.
What is the InChIKey of (4R,6R)-4,6-ditert-butyl-2-ethenyl-5-methyl-1,3-dioxane?
The InChIKey is KHHAONJRMAYTKK-FIYWTHMPSA-N. The full InChI is InChI=1S/C15H28O2/c1-9-11-16-12(14(3,4)5)10(2)13(17-11)15(6,7)8/h9-13H,1H2,2-8H3/t10?,11?,12-,13-/m1/s1.
What are the key properties of (4R,6R)-4,6-ditert-butyl-2-ethenyl-5-methyl-1,3-dioxane?
(4R,6R)-4,6-ditert-butyl-2-ethenyl-5-methyl-1,3-dioxane has a molecular weight of 240.39 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4,6-ditert-butyl-2-ethenyl-5-methyl-1,3-dioxane is sourced from PubChem (CID 135210617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).