[(2S)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyethyl] acetate

C10H16O6 — CID 11379256

IUPAC[(2S)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyethyl] acetate
SMILESCC(=O)OC[C@H](O)[C@@H]1OC(C)(C)OCC1=O
InChIInChI=1S/C10H16O6/c1-6(11)14-4-7(12)9-8(13)5-15-10(2,3)16-9/h7,9,12H,4-5H2,1-3H3/t7-,9-/m0/s1
InChIKeyYCAHWQNUHVGDDL-CBAPKCEASA-N
MW232.23 g/mol
LogP-0.37
Rot. Bonds3

About [(2S)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyethyl] acetate

[(2S)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyethyl] acetate (PubChem CID 11379256) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is [(2S)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyethyl] acetate.

Molecular Properties

Compound Name[(2S)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyethyl] acetate
PubChem CID11379256
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name[(2S)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyethyl] acetate
SMILESCC(=O)OC[C@H](O)[C@@H]1OC(C)(C)OCC1=O
InChIInChI=1S/C10H16O6/c1-6(11)14-4-7(12)9-8(13)5-15-10(2,3)16-9/h7,9,12H,4-5H2,1-3H3/t7-,9-/m0/s1
InChIKeyYCAHWQNUHVGDDL-CBAPKCEASA-N
XLogP-0.37
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyethyl] acetate with MolForge

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Launch Full Analysis

Related Compounds

(S)-Morelid
CID 11673776
D-xylobionate
CID 137333910
(4R)-4-[(2S,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxopentanoic acid
CID 132282174
(S)-Malic acid-1-O-beta-D-glucopyranoside
CID 135134727
D-Lyxonic acid, 3,5-O-(1-methylethylidene)-, gamma-lactone
CID 14335543
Methyl beta-l-threo-pentopyranosid-4-ulose
CID 14462101
[(5S,7R,8R)-8-hydroxy-2,2-dimethyl-6-oxo-1,3,10-trioxaspiro[4.5]decan-7-yl] acetate
CID 42643571
(2R,4R,5R)-1,2,5,6-tetrahydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-3-one
CID 54239410
(2S,4S,5R)-1,2,5,6-tetrahydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-3-one
CID 54239414
(4R,5R)-4-[(2R)-2,3-dihydroxypropanoyl]-5-hydroxy-2-methyl-1,3-dioxane-2-carboxylic acid
CID 54527837
(2S,4R)-1,2,5-trihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentan-3-one
CID 57180140
(3S,4S)-1,4,5-trihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentan-2-one
CID 91275479

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyethyl] acetate?
The IUPAC name of [(2S)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyethyl] acetate (CID 11379256) is [(2S)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyethyl] acetate.
What is the SMILES notation for [(2S)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyethyl] acetate?
The canonical SMILES for [(2S)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyethyl] acetate is CC(=O)OC[C@H](O)[C@@H]1OC(C)(C)OCC1=O.
What is the InChIKey of [(2S)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyethyl] acetate?
The InChIKey is YCAHWQNUHVGDDL-CBAPKCEASA-N. The full InChI is InChI=1S/C10H16O6/c1-6(11)14-4-7(12)9-8(13)5-15-10(2,3)16-9/h7,9,12H,4-5H2,1-3H3/t7-,9-/m0/s1.
What are the key properties of [(2S)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyethyl] acetate?
[(2S)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyethyl] acetate has a molecular weight of 232.23 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]-2-hydroxyethyl] acetate is sourced from PubChem (CID 11379256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).