(2R,3R,5S)-2,3-dimethoxy-2,3,5-trimethyl-1,4-dioxane

C9H18O4 — CID 134857736

IUPAC(2R,3R,5S)-2,3-dimethoxy-2,3,5-trimethyl-1,4-dioxane
SMILESCO[C@]1(C)OC[C@H](C)O[C@@]1(C)OC
InChIInChI=1S/C9H18O4/c1-7-6-12-8(2,10-4)9(3,11-5)13-7/h7H,6H2,1-5H3/t7-,8+,9+/m0/s1
InChIKeyPGXBLMVXWCVYRU-DJLDLDEBSA-N
MW190.24 g/mol
LogP1.15
Rot. Bonds2

About (2R,3R,5S)-2,3-dimethoxy-2,3,5-trimethyl-1,4-dioxane

(2R,3R,5S)-2,3-dimethoxy-2,3,5-trimethyl-1,4-dioxane (PubChem CID 134857736) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2R,3R,5S)-2,3-dimethoxy-2,3,5-trimethyl-1,4-dioxane.

Molecular Properties

Compound Name(2R,3R,5S)-2,3-dimethoxy-2,3,5-trimethyl-1,4-dioxane
PubChem CID134857736
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(2R,3R,5S)-2,3-dimethoxy-2,3,5-trimethyl-1,4-dioxane
SMILESCO[C@]1(C)OC[C@H](C)O[C@@]1(C)OC
InChIInChI=1S/C9H18O4/c1-7-6-12-8(2,10-4)9(3,11-5)13-7/h7H,6H2,1-5H3/t7-,8+,9+/m0/s1
InChIKeyPGXBLMVXWCVYRU-DJLDLDEBSA-N
XLogP1.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2,3-dimethoxy-2,3,5-trimethyl-1,4-dioxane?
The IUPAC name of (2R,3R,5S)-2,3-dimethoxy-2,3,5-trimethyl-1,4-dioxane (CID 134857736) is (2R,3R,5S)-2,3-dimethoxy-2,3,5-trimethyl-1,4-dioxane.
What is the SMILES notation for (2R,3R,5S)-2,3-dimethoxy-2,3,5-trimethyl-1,4-dioxane?
The canonical SMILES for (2R,3R,5S)-2,3-dimethoxy-2,3,5-trimethyl-1,4-dioxane is CO[C@]1(C)OC[C@H](C)O[C@@]1(C)OC.
What is the InChIKey of (2R,3R,5S)-2,3-dimethoxy-2,3,5-trimethyl-1,4-dioxane?
The InChIKey is PGXBLMVXWCVYRU-DJLDLDEBSA-N. The full InChI is InChI=1S/C9H18O4/c1-7-6-12-8(2,10-4)9(3,11-5)13-7/h7H,6H2,1-5H3/t7-,8+,9+/m0/s1.
What are the key properties of (2R,3R,5S)-2,3-dimethoxy-2,3,5-trimethyl-1,4-dioxane?
(2R,3R,5S)-2,3-dimethoxy-2,3,5-trimethyl-1,4-dioxane has a molecular weight of 190.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2,3-dimethoxy-2,3,5-trimethyl-1,4-dioxane is sourced from PubChem (CID 134857736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).