(5R)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane

C12H24O2 — CID 59070511

IUPAC(5R)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane
SMILESCCC1OC(C)(C)C(C)(C)O[C@@H]1CC
InChIInChI=1S/C12H24O2/c1-7-9-10(8-2)14-12(5,6)11(3,4)13-9/h9-10H,7-8H2,1-6H3/t9-,10?/m1/s1
InChIKeyQOWRHBHFNSGOPU-YHMJZVADSA-N
MW200.32 g/mol
LogP3.15
Rot. Bonds2

About (5R)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane

(5R)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane (PubChem CID 59070511) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (5R)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane.

Molecular Properties

Compound Name(5R)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane
PubChem CID59070511
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(5R)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane
SMILESCCC1OC(C)(C)C(C)(C)O[C@@H]1CC
InChIInChI=1S/C12H24O2/c1-7-9-10(8-2)14-12(5,6)11(3,4)13-9/h9-10H,7-8H2,1-6H3/t9-,10?/m1/s1
InChIKeyQOWRHBHFNSGOPU-YHMJZVADSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane?
The IUPAC name of (5R)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane (CID 59070511) is (5R)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane.
What is the SMILES notation for (5R)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane?
The canonical SMILES for (5R)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane is CCC1OC(C)(C)C(C)(C)O[C@@H]1CC.
What is the InChIKey of (5R)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane?
The InChIKey is QOWRHBHFNSGOPU-YHMJZVADSA-N. The full InChI is InChI=1S/C12H24O2/c1-7-9-10(8-2)14-12(5,6)11(3,4)13-9/h9-10H,7-8H2,1-6H3/t9-,10?/m1/s1.
What are the key properties of (5R)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane?
(5R)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane has a molecular weight of 200.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane is sourced from PubChem (CID 59070511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).