(4-hydroxyoxetan-2-yl)methyl acetate

C6H10O4 — CID 67977653

IUPAC(4-hydroxyoxetan-2-yl)methyl acetate
SMILESCC(=O)OCC1CC(O)O1
InChIInChI=1S/C6H10O4/c1-4(7)9-3-5-2-6(8)10-5/h5-6,8H,2-3H2,1H3
InChIKeyXUANYKLJECNAQY-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.34
Rot. Bonds2

About (4-hydroxyoxetan-2-yl)methyl acetate

(4-hydroxyoxetan-2-yl)methyl acetate (PubChem CID 67977653) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (4-hydroxyoxetan-2-yl)methyl acetate.

Molecular Properties

Compound Name(4-hydroxyoxetan-2-yl)methyl acetate
PubChem CID67977653
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(4-hydroxyoxetan-2-yl)methyl acetate
SMILESCC(=O)OCC1CC(O)O1
InChIInChI=1S/C6H10O4/c1-4(7)9-3-5-2-6(8)10-5/h5-6,8H,2-3H2,1H3
InChIKeyXUANYKLJECNAQY-UHFFFAOYSA-N
XLogP-0.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
CID 67977655
[(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate
CID 70946424
[(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate
CID 146385304
(5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate
CID 145462771
[(2S,5S)-4,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 144683652
CID 88574739
CID 88574739
[4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 550322
[(2S,3R,4S,6S)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 124546051
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903120
[(4S,5R,6R)-4,5,6-triacetyloxyoxan-2-yl]methyl acetate
CID 170261667
[(3S,4S,6R)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903122
[(2S,4S,5R,6S)-4,5-diacetyloxy-6-sulfanyloxan-2-yl]methyl acetate
CID 57268816

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyoxetan-2-yl)methyl acetate?
The IUPAC name of (4-hydroxyoxetan-2-yl)methyl acetate (CID 67977653) is (4-hydroxyoxetan-2-yl)methyl acetate.
What is the SMILES notation for (4-hydroxyoxetan-2-yl)methyl acetate?
The canonical SMILES for (4-hydroxyoxetan-2-yl)methyl acetate is CC(=O)OCC1CC(O)O1.
What is the InChIKey of (4-hydroxyoxetan-2-yl)methyl acetate?
The InChIKey is XUANYKLJECNAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-4(7)9-3-5-2-6(8)10-5/h5-6,8H,2-3H2,1H3.
What are the key properties of (4-hydroxyoxetan-2-yl)methyl acetate?
(4-hydroxyoxetan-2-yl)methyl acetate has a molecular weight of 146.14 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyoxetan-2-yl)methyl acetate is sourced from PubChem (CID 67977653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).