(5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate

C10H18O5 — CID 145462771

IUPAC(5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate
SMILESCOC1CC(COC(C)=O)OC(C)C1O
InChIInChI=1S/C10H18O5/c1-6-10(12)9(13-3)4-8(15-6)5-14-7(2)11/h6,8-10,12H,4-5H2,1-3H3
InChIKeyBZHQCEZUVIBCNV-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.10
Rot. Bonds3

About (5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate

(5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate (PubChem CID 145462771) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate.

Molecular Properties

Compound Name(5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate
PubChem CID145462771
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate
SMILESCOC1CC(COC(C)=O)OC(C)C1O
InChIInChI=1S/C10H18O5/c1-6-10(12)9(13-3)4-8(15-6)5-14-7(2)11/h6,8-10,12H,4-5H2,1-3H3
InChIKeyBZHQCEZUVIBCNV-UHFFFAOYSA-N
XLogP0.10
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol
CID 129171598
[(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate
CID 146385304
(4-hydroxyoxetan-2-yl)methyl acetate
CID 67977653
[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
CID 67977655
[(2S,5S)-4,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 144683652
(5,6-dimethyloxan-2-yl)methyl acetate
CID 164565040
[4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 550322
[(4S,5R,6R)-4,5,6-triacetyloxyoxan-2-yl]methyl acetate
CID 170261667
[(2S,4S,5R,6S)-4,5-diacetyloxy-6-sulfanyloxan-2-yl]methyl acetate
CID 57268816
[(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate
CID 67276829
(5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate
CID 121353630
[(3S,4S,6S)-5-acetyloxy-3,4-dimethoxy-6-methyloxan-2-yl]methyl acetate
CID 58919166

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate?
The IUPAC name of (5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate (CID 145462771) is (5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate.
What is the SMILES notation for (5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate?
The canonical SMILES for (5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate is COC1CC(COC(C)=O)OC(C)C1O.
What is the InChIKey of (5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate?
The InChIKey is BZHQCEZUVIBCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-6-10(12)9(13-3)4-8(15-6)5-14-7(2)11/h6,8-10,12H,4-5H2,1-3H3.
What are the key properties of (5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate?
(5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate has a molecular weight of 218.25 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate is sourced from PubChem (CID 145462771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).