(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane

C16H22O2 — CID 11673198

IUPAC(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane
SMILESC[C@H]1[C@@H](C)OC(C)(C)O[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C16H22O2/c1-12-13(2)17-16(3,4)18-15(12)11-10-14-8-6-5-7-9-14/h5-13,15H,1-4H3/b11-10+/t12-,13+,15+/m0/s1
InChIKeyPUNPUWCEGLAUJQ-DLDHWWSZSA-N
MW246.35 g/mol
LogP3.88
Rot. Bonds2

About (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane

(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane (PubChem CID 11673198) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane.

Molecular Properties

Compound Name(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane
PubChem CID11673198
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane
SMILESC[C@H]1[C@@H](C)OC(C)(C)O[C@@H]1/C=C/c1ccccc1
InChIInChI=1S/C16H22O2/c1-12-13(2)17-16(3,4)18-15(12)11-10-14-8-6-5-7-9-14/h5-13,15H,1-4H3/b11-10+/t12-,13+,15+/m0/s1
InChIKeyPUNPUWCEGLAUJQ-DLDHWWSZSA-N
XLogP3.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane?
The IUPAC name of (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane (CID 11673198) is (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane.
What is the SMILES notation for (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane?
The canonical SMILES for (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane is C[C@H]1[C@@H](C)OC(C)(C)O[C@@H]1/C=C/c1ccccc1.
What is the InChIKey of (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane?
The InChIKey is PUNPUWCEGLAUJQ-DLDHWWSZSA-N. The full InChI is InChI=1S/C16H22O2/c1-12-13(2)17-16(3,4)18-15(12)11-10-14-8-6-5-7-9-14/h5-13,15H,1-4H3/b11-10+/t12-,13+,15+/m0/s1.
What are the key properties of (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane?
(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane has a molecular weight of 246.35 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane is sourced from PubChem (CID 11673198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).