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

C12H24O2 — CID 59124568

IUPAC(5S,6S)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane
SMILESCC[C@@H]1OC(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-/m0/s1
InChIKeyQOWRHBHFNSGOPU-UWVGGRQHSA-N
MW200.32 g/mol
LogP3.15
Rot. Bonds2

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

(5S,6S)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane (PubChem CID 59124568) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (5S,6S)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane.

Molecular Properties

Compound Name(5S,6S)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane
PubChem CID59124568
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(5S,6S)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane
SMILESCC[C@@H]1OC(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-/m0/s1
InChIKeyQOWRHBHFNSGOPU-UWVGGRQHSA-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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Related Compounds

2,2-Diethyl-1,4-dioxane
CID 20316221
Hexamethyldioxane
CID 54526665
Dimethyl-dimethyl dioxane
CID 57777505
2,3-Diethyl-1,4-dioxane
CID 68222186
2-Methyl-2-propan-2-yl-1,4-dioxane
CID 118612964
2-Methyl-2-propyl-1,4-dioxane
CID 154311607
2,3-Di(propan-2-yl)-1,4-dioxane
CID 20593307
2,3-Ditert-butyl-1,4-dioxane
CID 20805055
3,4-Diethoxy-3-ethylhexane
CID 22991069
2-Tert-butyl-2-methyl-1,4-dioxane
CID 53730099
2-Methyl-3-(2-methylpropyl)-1,4-dioxane
CID 54083542
2,2,3,6-Tetramethyl-1,4-dioxane
CID 54130971

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane?
The IUPAC name of (5S,6S)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane (CID 59124568) is (5S,6S)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane.
What is the SMILES notation for (5S,6S)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane?
The canonical SMILES for (5S,6S)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane is CC[C@@H]1OC(C)(C)C(C)(C)O[C@H]1CC.
What is the InChIKey of (5S,6S)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane?
The InChIKey is QOWRHBHFNSGOPU-UWVGGRQHSA-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-/m0/s1.
What are the key properties of (5S,6S)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane?
(5S,6S)-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 (5S,6S)-5,6-diethyl-2,2,3,3-tetramethyl-1,4-dioxane is sourced from PubChem (CID 59124568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).