2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid

C10H18O5 — CID 18716202

IUPAC2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
SMILESCOCC1CC(CC(=O)O)OC(C)(C)O1
InChIInChI=1S/C10H18O5/c1-10(2)14-7(5-9(11)12)4-8(15-10)6-13-3/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyARKGXDGSLDYYOQ-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.02
Rot. Bonds4

About 2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid

2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid (PubChem CID 18716202) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
PubChem CID18716202
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
SMILESCOCC1CC(CC(=O)O)OC(C)(C)O1
InChIInChI=1S/C10H18O5/c1-10(2)14-7(5-9(11)12)4-8(15-10)6-13-3/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyARKGXDGSLDYYOQ-UHFFFAOYSA-N
XLogP1.02
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-6-(methoxymethyl)-2,2-dimethyl-1,3-dioxane;2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid;molecular iodine
CID 161463038
2-[(4R)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
CID 57485207
2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
CID 14423958
2-(6-formyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid
CID 14423957
2-[2,2-dimethyl-6-(methylsulfonylmethyl)-1,3-dioxan-4-yl]acetic acid
CID 20771245
2-[(4R,6R)-2,2-dimethyl-6-[2-(methylamino)ethyl]-1,3-dioxan-4-yl]acetic acid
CID 130305937
2-[(4R,6S)-2,2-dimethyl-6-(trityloxymethyl)-1,3-dioxan-4-yl]acetic acid
CID 18716197
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 14141015
2-[2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-dioxan-4-yl]acetic acid
CID 77340985
2-[(4R,6S)-6-[(carbamothioylamino)methyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
CID 22848427
2-amino-2-[(4R,6R)-6-(carboxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propanoic acid
CID 175091261
methyl 2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 11253244

Frequently Asked Questions

What is the IUPAC name of 2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid?
The IUPAC name of 2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid (CID 18716202) is 2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid.
What is the SMILES notation for 2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid?
The canonical SMILES for 2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid is COCC1CC(CC(=O)O)OC(C)(C)O1.
What is the InChIKey of 2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid?
The InChIKey is ARKGXDGSLDYYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-10(2)14-7(5-9(11)12)4-8(15-10)6-13-3/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid?
2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid has a molecular weight of 218.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid is sourced from PubChem (CID 18716202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).