1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone

C10H18O5 — CID 11287407

IUPAC1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone
SMILESCO[C@]1(C)OC[C@@H](C(C)=O)O[C@@]1(C)OC
InChIInChI=1S/C10H18O5/c1-7(11)8-6-14-9(2,12-4)10(3,13-5)15-8/h8H,6H2,1-5H3/t8-,9+,10+/m0/s1
InChIKeyXDTOUJCNSYCRBT-IVZWLZJFSA-N
MW218.25 g/mol
LogP0.72
Rot. Bonds3

About 1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone

1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone (PubChem CID 11287407) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone
PubChem CID11287407
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone
SMILESCO[C@]1(C)OC[C@@H](C(C)=O)O[C@@]1(C)OC
InChIInChI=1S/C10H18O5/c1-7(11)8-6-14-9(2,12-4)10(3,13-5)15-8/h8H,6H2,1-5H3/t8-,9+,10+/m0/s1
InChIKeyXDTOUJCNSYCRBT-IVZWLZJFSA-N
XLogP0.72
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

(2S,3S,5S)-5-(bromomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
CID 101122186
tert-butyl (E)-3-[(2S,5S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-enoate
CID 102271983
(1R)-1-[(2R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol
CID 135037817
(1R)-1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-yn-1-ol
CID 11322167
[(2R,3S)-2,3-diacetyloxy-3-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]propyl] acetate
CID 101414894
methyl 2,2-dimethyl-(4,5-13C2)1,3-dioxolane-4-carboxylate
CID 169439042
(R)-diethoxyphosphoryl-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol
CID 102046630
(2S,3R)-3-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11515589
(E,1S)-3-cyclopropyl-1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-2-en-1-ol
CID 139258198
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10909699
(1R,3S,5R,6R,8S,10R,12S,13S)-5,6,12,13-tetramethoxy-5,6,12,13-tetramethyl-4,7,11,14-tetraoxatricyclo[8.4.0.03,8]tetradecane-2,9-diol
CID 11732292
methyl 2-ethyl-2-methyl-1,3-dioxolane-4-carboxylate
CID 175220005

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone?
The IUPAC name of 1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone (CID 11287407) is 1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone?
The canonical SMILES for 1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone is CO[C@]1(C)OC[C@@H](C(C)=O)O[C@@]1(C)OC.
What is the InChIKey of 1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone?
The InChIKey is XDTOUJCNSYCRBT-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H18O5/c1-7(11)8-6-14-9(2,12-4)10(3,13-5)15-8/h8H,6H2,1-5H3/t8-,9+,10+/m0/s1.
What are the key properties of 1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone?
1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone has a molecular weight of 218.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone is sourced from PubChem (CID 11287407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).