[2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate

C10H18O5 — CID 129275610

IUPAC[2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate
SMILESCOCC1CC(OC(C)=O)CC(OC)O1
InChIInChI=1S/C10H18O5/c1-7(11)14-8-4-9(6-12-2)15-10(5-8)13-3/h8-10H,4-6H2,1-3H3
InChIKeyIDBVESMYQZSQSV-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.72
Rot. Bonds4

About [2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate

[2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate (PubChem CID 129275610) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is [2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate.

Molecular Properties

Compound Name[2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate
PubChem CID129275610
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name[2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate
SMILESCOCC1CC(OC(C)=O)CC(OC)O1
InChIInChI=1S/C10H18O5/c1-7(11)14-8-4-9(6-12-2)15-10(5-8)13-3/h8-10H,4-6H2,1-3H3
InChIKeyIDBVESMYQZSQSV-UHFFFAOYSA-N
XLogP0.72
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 88574739
CID 88574739
[(2S,4R,6S)-4-benzoyloxy-6-methoxyoxan-2-yl]methyl benzoate
CID 10339119
[4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]oxan-2-yl]methyl acetate
CID 142000686
[2-(fluoromethyl)-6-propoxyoxan-4-yl] acetate
CID 166546051
(6-methoxy-2,4-dimethyloxan-3-yl) acetate
CID 20577444
methyl 2-[(2S,4S,6S)-4,6-dimethoxyoxan-2-yl]acetate
CID 10987731
[(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate
CID 143562159
[(2R,4S)-2-methoxyoxan-4-yl] acetate
CID 153373300
3-acetyloxy-2-[(4R,6S)-4-acetyloxy-6-(acetyloxymethyl)oxan-2-yl]propanoic acid
CID 142342543
[(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 14214681
acetic acid;3-acetyloxy-2-[(4R,6S)-4-acetyloxy-6-(acetyloxymethyl)oxan-2-yl]propanoic acid
CID 142342542
[2-methyl-6-(2-oxopropyl)oxan-4-yl] acetate
CID 10846291

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate?
The IUPAC name of [2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate (CID 129275610) is [2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate.
What is the SMILES notation for [2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate?
The canonical SMILES for [2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate is COCC1CC(OC(C)=O)CC(OC)O1.
What is the InChIKey of [2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate?
The InChIKey is IDBVESMYQZSQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-7(11)14-8-4-9(6-12-2)15-10(5-8)13-3/h8-10H,4-6H2,1-3H3.
What are the key properties of [2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate?
[2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate has a molecular weight of 218.25 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate is sourced from PubChem (CID 129275610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).