(2S,3S)-3-hydroperoxybutan-2-ol

C4H10O3 — CID 133064662

IUPAC(2S,3S)-3-hydroperoxybutan-2-ol
SMILESC[C@H](O)[C@H](C)OO
InChIInChI=1S/C4H10O3/c1-3(5)4(2)7-6/h3-6H,1-2H3/t3-,4-/m0/s1
InChIKeyVRQPOZSYDWHVQK-IMJSIDKUSA-N
MW106.12 g/mol
LogP0.25
Rot. Bonds2

About (2S,3S)-3-hydroperoxybutan-2-ol

(2S,3S)-3-hydroperoxybutan-2-ol (PubChem CID 133064662) has the molecular formula C4H10O3 and a molecular weight of 106.12 g/mol. Its IUPAC name is (2S,3S)-3-hydroperoxybutan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-hydroperoxybutan-2-ol
PubChem CID133064662
Molecular FormulaC4H10O3
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Name(2S,3S)-3-hydroperoxybutan-2-ol
SMILESC[C@H](O)[C@H](C)OO
InChIInChI=1S/C4H10O3/c1-3(5)4(2)7-6/h3-6H,1-2H3/t3-,4-/m0/s1
InChIKeyVRQPOZSYDWHVQK-IMJSIDKUSA-N
XLogP0.25
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-hydroperoxy-3-methylpentan-2-ol
CID 140902034
3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol
CID 21495812
(2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol
CID 11118360
1,1-difluoro-2-hydroperoxypropane
CID 173152216
tetrakis(3-methoxybutan-2-ol);titanium
CID 87400575
(2S,3R)-2-amino-3-hydroperoxybutanoic acid
CID 87435001
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
(3S)-3-(hydroxymethoxy)butan-2-ol
CID 145435326
3-[C-(3-hydroxybutan-2-yloxy)carbonimidoyl]oxybutan-2-ol
CID 90287697
deuterium monohydride;3-methoxybutan-2-ol;phosphane
CID 157416424
3-hydroxybutan-2-yl carbamate
CID 20700654
gold;platinum;pentakis(propan-2-ol)
CID 171063749

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroperoxybutan-2-ol?
The IUPAC name of (2S,3S)-3-hydroperoxybutan-2-ol (CID 133064662) is (2S,3S)-3-hydroperoxybutan-2-ol.
What is the SMILES notation for (2S,3S)-3-hydroperoxybutan-2-ol?
The canonical SMILES for (2S,3S)-3-hydroperoxybutan-2-ol is C[C@H](O)[C@H](C)OO.
What is the InChIKey of (2S,3S)-3-hydroperoxybutan-2-ol?
The InChIKey is VRQPOZSYDWHVQK-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H10O3/c1-3(5)4(2)7-6/h3-6H,1-2H3/t3-,4-/m0/s1.
What are the key properties of (2S,3S)-3-hydroperoxybutan-2-ol?
(2S,3S)-3-hydroperoxybutan-2-ol has a molecular weight of 106.12 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroperoxybutan-2-ol is sourced from PubChem (CID 133064662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).