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

C12H20O6 — CID 10730034

IUPACmethyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H](COC(C)=O)OC(C)(C)O1
InChIInChI=1S/C12H20O6/c1-8(13)16-7-10-5-9(6-11(14)15-4)17-12(2,3)18-10/h9-10H,5-7H2,1-4H3/t9-,10+/m1/s1
InChIKeyZAJZMVBJZUWVKH-ZJUUUORDSA-N
MW260.29 g/mol
LogP1.02
Rot. Bonds4

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

methyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate (PubChem CID 10730034) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
PubChem CID10730034
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Namemethyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H](COC(C)=O)OC(C)(C)O1
InChIInChI=1S/C12H20O6/c1-8(13)16-7-10-5-9(6-11(14)15-4)17-12(2,3)18-10/h9-10H,5-7H2,1-4H3/t9-,10+/m1/s1
InChIKeyZAJZMVBJZUWVKH-ZJUUUORDSA-N
XLogP1.02
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The IUPAC name of methyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CID 10730034) is methyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for methyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The canonical SMILES for methyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate is COC(=O)C[C@H]1C[C@@H](COC(C)=O)OC(C)(C)O1.
What is the InChIKey of methyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The InChIKey is ZAJZMVBJZUWVKH-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H20O6/c1-8(13)16-7-10-5-9(6-11(14)15-4)17-12(2,3)18-10/h9-10H,5-7H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of methyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
methyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate has a molecular weight of 260.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 10730034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).