[(2S)-3-hydroperoxyoxolan-2-yl]methanol

C5H10O4 — CID 142984914

IUPAC[(2S)-3-hydroperoxyoxolan-2-yl]methanol
SMILESOC[C@@H]1OCCC1OO
InChIInChI=1S/C5H10O4/c6-3-5-4(9-7)1-2-8-5/h4-7H,1-3H2/t4?,5-/m0/s1
InChIKeyMSCALRIETASCNX-AKGZTFGVSA-N
MW134.13 g/mol
LogP-0.37
Rot. Bonds2

About [(2S)-3-hydroperoxyoxolan-2-yl]methanol

[(2S)-3-hydroperoxyoxolan-2-yl]methanol (PubChem CID 142984914) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is [(2S)-3-hydroperoxyoxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-3-hydroperoxyoxolan-2-yl]methanol
PubChem CID142984914
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name[(2S)-3-hydroperoxyoxolan-2-yl]methanol
SMILESOC[C@@H]1OCCC1OO
InChIInChI=1S/C5H10O4/c6-3-5-4(9-7)1-2-8-5/h4-7H,1-3H2/t4?,5-/m0/s1
InChIKeyMSCALRIETASCNX-AKGZTFGVSA-N
XLogP-0.37
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

hydroxy-[(2R)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxophosphanium
CID 177282139
[(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] methyl hydrogen phosphate
CID 118244710
(2S,3R)-2-(hydroxymethyl)oxolan-3-ol
CID 21120394
ethyl [(2R,3R)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
CID 130330647
[2-(hydroxymethyl)oxan-3-yl] acetate
CID 164943022
[(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 101369485
(3-ethyloxolan-2-yl)methanol
CID 139662526
2-(hydroxymethyl)oxolan-3-ol;methanethiol
CID 172622049
benzyl [2-(hydroxymethyl)oxolan-3-yl] carbonate
CID 66978598
(2S,3S,4R)-2-(hydroxymethyl)-3-methyloxan-4-ol
CID 89257792
2-(hydroxymethyl)oxane-3,4-diol;methanol
CID 144507531
(3S)-2-(hydroxymethyl)-3-methyloxan-4-ol
CID 153374722

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-hydroperoxyoxolan-2-yl]methanol?
The IUPAC name of [(2S)-3-hydroperoxyoxolan-2-yl]methanol (CID 142984914) is [(2S)-3-hydroperoxyoxolan-2-yl]methanol.
What is the SMILES notation for [(2S)-3-hydroperoxyoxolan-2-yl]methanol?
The canonical SMILES for [(2S)-3-hydroperoxyoxolan-2-yl]methanol is OC[C@@H]1OCCC1OO.
What is the InChIKey of [(2S)-3-hydroperoxyoxolan-2-yl]methanol?
The InChIKey is MSCALRIETASCNX-AKGZTFGVSA-N. The full InChI is InChI=1S/C5H10O4/c6-3-5-4(9-7)1-2-8-5/h4-7H,1-3H2/t4?,5-/m0/s1.
What are the key properties of [(2S)-3-hydroperoxyoxolan-2-yl]methanol?
[(2S)-3-hydroperoxyoxolan-2-yl]methanol has a molecular weight of 134.13 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-hydroperoxyoxolan-2-yl]methanol is sourced from PubChem (CID 142984914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).