(2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol

C7H14O4 — CID 130875255

IUPAC(2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol
SMILESCC1O[C@@H](O)[C@](C)(O)OC1C
InChIInChI=1S/C7H14O4/c1-4-5(2)11-7(3,9)6(8)10-4/h4-6,8-9H,1-3H3/t4?,5?,6-,7-/m1/s1
InChIKeyRSUQXBHHMIWUQN-TVVDDFTJSA-N
MW162.18 g/mol
LogP-0.16
Rot. Bonds

About (2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol

(2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol (PubChem CID 130875255) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol
PubChem CID130875255
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol
SMILESCC1O[C@@H](O)[C@](C)(O)OC1C
InChIInChI=1S/C7H14O4/c1-4-5(2)11-7(3,9)6(8)10-4/h4-6,8-9H,1-3H3/t4?,5?,6-,7-/m1/s1
InChIKeyRSUQXBHHMIWUQN-TVVDDFTJSA-N
XLogP-0.16
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyloxetane-2,3-diol
CID 142770026
(4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol
CID 163961181
N-[(2R,3R,4S,5S)-4,5,6-trihydroxy-2,4,5-trimethyloxan-3-yl]formamide
CID 172733347
(5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane
CID 59124579
ethane;2,4,6-trimethyloxane-3,4-diol
CID 168899999
1-[(2S,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolan-3-yl]ethanone
CID 57152401
(1R,4S,5R)-4,6,6-trimethyl-3-oxabicyclo[3.1.0]hexane-1,2,5-triol
CID 54571248
[(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite
CID 68717145
CID 140672703
CID 140672703
(3S,5S)-6-methyloxane-2,2,3,4,5-pentol
CID 129203156
2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,7-diol
CID 14487703
(3aR,4R,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 59042827

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol?
The IUPAC name of (2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol (CID 130875255) is (2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol.
What is the SMILES notation for (2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol?
The canonical SMILES for (2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol is CC1O[C@@H](O)[C@](C)(O)OC1C.
What is the InChIKey of (2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol?
The InChIKey is RSUQXBHHMIWUQN-TVVDDFTJSA-N. The full InChI is InChI=1S/C7H14O4/c1-4-5(2)11-7(3,9)6(8)10-4/h4-6,8-9H,1-3H3/t4?,5?,6-,7-/m1/s1.
What are the key properties of (2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol?
(2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol has a molecular weight of 162.18 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol is sourced from PubChem (CID 130875255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).