1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone

C9H16O3 — CID 11579201

IUPAC1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone
SMILESCC(=O)[C@H]1C[C@@H](C)OC(C)(C)O1
InChIInChI=1S/C9H16O3/c1-6-5-8(7(2)10)12-9(3,4)11-6/h6,8H,5H2,1-4H3/t6-,8-/m1/s1
InChIKeyHHYGTHSIWBRZJB-HTRCEHHLSA-N
MW172.22 g/mol
LogP1.51
Rot. Bonds1

About 1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone

1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone (PubChem CID 11579201) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone.

Molecular Properties

Compound Name1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone
PubChem CID11579201
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone
SMILESCC(=O)[C@H]1C[C@@H](C)OC(C)(C)O1
InChIInChI=1S/C9H16O3/c1-6-5-8(7(2)10)12-9(3,4)11-6/h6,8H,5H2,1-4H3/t6-,8-/m1/s1
InChIKeyHHYGTHSIWBRZJB-HTRCEHHLSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone with MolForge

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Related Compounds

3-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]propanoic acid
CID 14705273
1-[(3aR,4S,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ethanone
CID 59059709
methyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate
CID 85404971
2-[(4S,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanol
CID 14705267
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10909699
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride
CID 69349368
potassium;(4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydride
CID 173083628
acetic acid;2-[(4R,6S)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 71351284
methyl 2,2-dimethyl-(4,5-13C2)1,3-dioxolane-4-carboxylate
CID 169439042
1-(6,6-dimethyl-1,4,7-trioxaspiro[4.4]nonan-8-yl)ethanone
CID 71420969
(4S)-2,2,4-trimethyl-1,3-dioxane
CID 12587732
1-(5-acetyloxolan-2-yl)ethanone
CID 123648295

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone?
The IUPAC name of 1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone (CID 11579201) is 1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone.
What is the SMILES notation for 1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone?
The canonical SMILES for 1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone is CC(=O)[C@H]1C[C@@H](C)OC(C)(C)O1.
What is the InChIKey of 1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone?
The InChIKey is HHYGTHSIWBRZJB-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H16O3/c1-6-5-8(7(2)10)12-9(3,4)11-6/h6,8H,5H2,1-4H3/t6-,8-/m1/s1.
What are the key properties of 1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone?
1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone has a molecular weight of 172.22 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]ethanone is sourced from PubChem (CID 11579201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).