2-[(4S,6R)-6-(2-acetyloxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl acetate

C14H24O6 — CID 10016967

IUPAC2-[(4S,6R)-6-(2-acetyloxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl acetate
SMILESCC(=O)OCC[C@@H]1C[C@H](CCOC(C)=O)OC(C)(C)O1
InChIInChI=1S/C14H24O6/c1-10(15)17-7-5-12-9-13(6-8-18-11(2)16)20-14(3,4)19-12/h12-13H,5-9H2,1-4H3/t12-,13+
InChIKeyPZVGBGKULAICQG-BETUJISGSA-N
MW288.34 g/mol
LogP1.80
Rot. Bonds6

About 2-[(4S,6R)-6-(2-acetyloxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl acetate

2-[(4S,6R)-6-(2-acetyloxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl acetate (PubChem CID 10016967) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[(4S,6R)-6-(2-acetyloxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl acetate.

Molecular Properties

Compound Name2-[(4S,6R)-6-(2-acetyloxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl acetate
PubChem CID10016967
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name2-[(4S,6R)-6-(2-acetyloxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl acetate
SMILESCC(=O)OCC[C@@H]1C[C@H](CCOC(C)=O)OC(C)(C)O1
InChIInChI=1S/C14H24O6/c1-10(15)17-7-5-12-9-13(6-8-18-11(2)16)20-14(3,4)19-12/h12-13H,5-9H2,1-4H3/t12-,13+
InChIKeyPZVGBGKULAICQG-BETUJISGSA-N
XLogP1.80
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,4-Tri-O-acetyl-2,6-dideoxyhexopyranose
CID 323892
Methyl 2,3,4,6,7-penta-O-acetylheptopyranoside
CID 220193
L-glycero-alpha-D-manno-Heptopyranose 1,2,3,4,6,7-Hexaacetate
CID 11408602
(3,4,5-Triacetyloxy-6-methyloxan-2-yl)methyl acetate
CID 14157747
[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]methyl acetate
CID 14157748
[(2R,3R,4R,5S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]methyl acetate
CID 59991003
[(3R,4R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]methyl acetate
CID 60055939
(6-Acetyloxyoxan-2-yl)methyl acetate
CID 135013331
[(3R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]methyl acetate
CID 135015001
(4-Acetyloxy-2-ethyl-5-fluoro-6-propan-2-yloxyoxan-3-yl) acetate
CID 170261283
Acetyl 2,4-di-O-acetyl-3,6-dideoxy-d-glucopyranoside
CID 538192
Acetic acid, 3-acetoxy-6-methoxy-2-methyl-tetrahydropyran-4-yl ester
CID 538724

Frequently Asked Questions

What is the IUPAC name of 2-[(4S,6R)-6-(2-acetyloxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl acetate?
The IUPAC name of 2-[(4S,6R)-6-(2-acetyloxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl acetate (CID 10016967) is 2-[(4S,6R)-6-(2-acetyloxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl acetate.
What is the SMILES notation for 2-[(4S,6R)-6-(2-acetyloxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl acetate?
The canonical SMILES for 2-[(4S,6R)-6-(2-acetyloxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl acetate is CC(=O)OCC[C@@H]1C[C@H](CCOC(C)=O)OC(C)(C)O1.
What is the InChIKey of 2-[(4S,6R)-6-(2-acetyloxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl acetate?
The InChIKey is PZVGBGKULAICQG-BETUJISGSA-N. The full InChI is InChI=1S/C14H24O6/c1-10(15)17-7-5-12-9-13(6-8-18-11(2)16)20-14(3,4)19-12/h12-13H,5-9H2,1-4H3/t12-,13+.
What are the key properties of 2-[(4S,6R)-6-(2-acetyloxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl acetate?
2-[(4S,6R)-6-(2-acetyloxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl acetate has a molecular weight of 288.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,6R)-6-(2-acetyloxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethyl acetate is sourced from PubChem (CID 10016967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).