6-methyl-1,3-dioxane-2,4,5-triol

C5H10O5 — CID 163702397

IUPAC6-methyl-1,3-dioxane-2,4,5-triol
SMILESCC1OC(O)OC(O)C1O
InChIInChI=1S/C5H10O5/c1-2-3(6)4(7)10-5(8)9-2/h2-8H,1H3
InChIKeyKCDWGTRMTYWJHU-UHFFFAOYSA-N
MW150.13 g/mol
LogP-1.62
Rot. Bonds

About 6-methyl-1,3-dioxane-2,4,5-triol

6-methyl-1,3-dioxane-2,4,5-triol (PubChem CID 163702397) has the molecular formula C5H10O5 and a molecular weight of 150.13 g/mol. Its IUPAC name is 6-methyl-1,3-dioxane-2,4,5-triol.

Molecular Properties

Compound Name6-methyl-1,3-dioxane-2,4,5-triol
PubChem CID163702397
Molecular FormulaC5H10O5
Molecular Weight150.13 g/mol
Exact Mass150.05
IUPAC Name6-methyl-1,3-dioxane-2,4,5-triol
SMILESCC1OC(O)OC(O)C1O
InChIInChI=1S/C5H10O5/c1-2-3(6)4(7)10-5(8)9-2/h2-8H,1H3
InChIKeyKCDWGTRMTYWJHU-UHFFFAOYSA-N
XLogP-1.62
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
CID 129314639
CID 171369816
CID 171369816
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521
(3R,4R,5R,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 90472741
(3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate
CID 135391148
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
(6S)-2-(hydroxymethyl)-6-methyl-1,3-dioxane-4,5-diol
CID 147021144
(3S,4R,5R,6R)-4-(dimethylamino)-6-methyloxane-2,3,5-triol
CID 130905906
(3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol
CID 15558282
6-methyl-4-nitrosooxane-2,3,5-triol
CID 163957817

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,3-dioxane-2,4,5-triol?
The IUPAC name of 6-methyl-1,3-dioxane-2,4,5-triol (CID 163702397) is 6-methyl-1,3-dioxane-2,4,5-triol.
What is the SMILES notation for 6-methyl-1,3-dioxane-2,4,5-triol?
The canonical SMILES for 6-methyl-1,3-dioxane-2,4,5-triol is CC1OC(O)OC(O)C1O.
What is the InChIKey of 6-methyl-1,3-dioxane-2,4,5-triol?
The InChIKey is KCDWGTRMTYWJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5/c1-2-3(6)4(7)10-5(8)9-2/h2-8H,1H3.
What are the key properties of 6-methyl-1,3-dioxane-2,4,5-triol?
6-methyl-1,3-dioxane-2,4,5-triol has a molecular weight of 150.13 g/mol, XLogP of -1.62, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,3-dioxane-2,4,5-triol is sourced from PubChem (CID 163702397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).