[(2S)-4-hydroxyoxetan-2-yl]methyl acetate

C6H10O4 — CID 67977655

IUPAC[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CC(O)O1
InChIInChI=1S/C6H10O4/c1-4(7)9-3-5-2-6(8)10-5/h5-6,8H,2-3H2,1H3/t5-,6?/m0/s1
InChIKeyXUANYKLJECNAQY-ZBHICJROSA-N
MW146.14 g/mol
LogP-0.34
Rot. Bonds2

About [(2S)-4-hydroxyoxetan-2-yl]methyl acetate

[(2S)-4-hydroxyoxetan-2-yl]methyl acetate (PubChem CID 67977655) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is [(2S)-4-hydroxyoxetan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
PubChem CID67977655
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CC(O)O1
InChIInChI=1S/C6H10O4/c1-4(7)9-3-5-2-6(8)10-5/h5-6,8H,2-3H2,1H3/t5-,6?/m0/s1
InChIKeyXUANYKLJECNAQY-ZBHICJROSA-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

(4-hydroxyoxetan-2-yl)methyl acetate
CID 67977653
[(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
[(3S,4S,6R)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903122
[(4S,5R,6R)-4,5,6-triacetyloxyoxan-2-yl]methyl acetate
CID 170261667
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903120
[(2S,4S,5R,6S)-4,5-diacetyloxy-6-sulfanyloxan-2-yl]methyl acetate
CID 57268816

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-hydroxyoxetan-2-yl]methyl acetate?
The IUPAC name of [(2S)-4-hydroxyoxetan-2-yl]methyl acetate (CID 67977655) is [(2S)-4-hydroxyoxetan-2-yl]methyl acetate.
What is the SMILES notation for [(2S)-4-hydroxyoxetan-2-yl]methyl acetate?
The canonical SMILES for [(2S)-4-hydroxyoxetan-2-yl]methyl acetate is CC(=O)OC[C@@H]1CC(O)O1.
What is the InChIKey of [(2S)-4-hydroxyoxetan-2-yl]methyl acetate?
The InChIKey is XUANYKLJECNAQY-ZBHICJROSA-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/t5-,6?/m0/s1.
What are the key properties of [(2S)-4-hydroxyoxetan-2-yl]methyl acetate?
[(2S)-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 [(2S)-4-hydroxyoxetan-2-yl]methyl acetate is sourced from PubChem (CID 67977655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).