(2S,3S,5R,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane

C11H22O4 — CID 67989644

IUPAC(2S,3S,5R,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane
SMILESCC[C@@H](C)[C@@H]1O[C@H](OC)[C@H](OC)O[C@H]1C
InChIInChI=1S/C11H22O4/c1-6-7(2)9-8(3)14-10(12-4)11(13-5)15-9/h7-11H,6H2,1-5H3/t7-,8+,9+,10-,11+/m1/s1
InChIKeyWZKLGEJKXYILKS-KJPMQGKISA-N
MW218.29 g/mol
LogP1.78
Rot. Bonds4

About (2S,3S,5R,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane

(2S,3S,5R,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane (PubChem CID 67989644) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is (2S,3S,5R,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane.

Molecular Properties

Compound Name(2S,3S,5R,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane
PubChem CID67989644
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name(2S,3S,5R,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane
SMILESCC[C@@H](C)[C@@H]1O[C@H](OC)[C@H](OC)O[C@H]1C
InChIInChI=1S/C11H22O4/c1-6-7(2)9-8(3)14-10(12-4)11(13-5)15-9/h7-11H,6H2,1-5H3/t7-,8+,9+,10-,11+/m1/s1
InChIKeyWZKLGEJKXYILKS-KJPMQGKISA-N
XLogP1.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,3S,5R,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane with MolForge

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Related Compounds

5-Ethyl-2,4-dipropyl-1,3-dioxane
CID 221917
2-Propylpentanal diisopropyl acetal
CID 130161
(5S)-5-(3-fluoro-3-methylbutan-2-yl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
CID 149443426
4,5-Diethyl-1,3-dioxane
CID 146477180
2,3,4-Trimethoxy-5,6-dimethyloxane
CID 18719673
4-(2,5-Dimethyl-1,3-dioxan-4-yl)-2,5-dimethyl-1,3-dioxane
CID 18740058
5-Ethyl-2-pentan-2-yl-4-propyl-1,3-dioxane
CID 20509706
2,3,4-Trimethoxy-6-(methoxymethyl)-5-methyloxane
CID 20653359
5-(1-Ethoxyethoxy)-2,3-dimethylhexane
CID 20695825
(2S,4S)-2-cyclopentyl-4-(methoxymethyl)-1,3-dioxane
CID 23228721
5-Ethyl-2-methyl-4-propyl-1,3-dioxane
CID 53424700
5-Methyl-2-[(4-methylcyclohexyl)oxymethyl]-1,3-dioxane
CID 54451566

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane?
The IUPAC name of (2S,3S,5R,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane (CID 67989644) is (2S,3S,5R,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane.
What is the SMILES notation for (2S,3S,5R,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane?
The canonical SMILES for (2S,3S,5R,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane is CC[C@@H](C)[C@@H]1O[C@H](OC)[C@H](OC)O[C@H]1C.
What is the InChIKey of (2S,3S,5R,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane?
The InChIKey is WZKLGEJKXYILKS-KJPMQGKISA-N. The full InChI is InChI=1S/C11H22O4/c1-6-7(2)9-8(3)14-10(12-4)11(13-5)15-9/h7-11H,6H2,1-5H3/t7-,8+,9+,10-,11+/m1/s1.
What are the key properties of (2S,3S,5R,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane?
(2S,3S,5R,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane has a molecular weight of 218.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R,6S)-2-[(2R)-butan-2-yl]-5,6-dimethoxy-3-methyl-1,4-dioxane is sourced from PubChem (CID 67989644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).