oxetan-2-ol

C6H12O4 — CID 175273147

IUPACoxetan-2-ol
SMILESOC1CCO1.OC1CCO1
InChIInChI=1S/2C3H6O2/c2*4-3-1-2-5-3/h2*3-4H,1-2H2
InChIKeyZIJCSJSTUXANJF-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.55
Rot. Bonds

About oxetan-2-ol

oxetan-2-ol (PubChem CID 175273147) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is oxetan-2-ol.

Molecular Properties

Compound Nameoxetan-2-ol
PubChem CID175273147
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Nameoxetan-2-ol
SMILESOC1CCO1.OC1CCO1
InChIInChI=1S/2C3H6O2/c2*4-3-1-2-5-3/h2*3-4H,1-2H2
InChIKeyZIJCSJSTUXANJF-UHFFFAOYSA-N
XLogP-0.55
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methane;oxolan-2-ol
CID 174893517
CID 161132598
CID 161132598
ethene;oxolan-2-ol
CID 175689384
oxolane-2,3-diol
CID 14778197
1,5-dioxocan-2-ol
CID 141332060
(3-methyloxetan-3-yl)methanol;oxetan-2-ol
CID 89400317
oxetan-2-ol;trimethoxy(propyl)silane
CID 175477148
(2R,3R)-3-fluorooxolan-2-ol
CID 98040547
(3R)-2-methyloxolan-3-ol
CID 89032581
magnesium;ethane;oxan-2-ol;hydrobromide
CID 173423847
(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methanol
CID 144869586
(2S)-1,4-oxathian-2-ol
CID 124507485

Frequently Asked Questions

What is the IUPAC name of oxetan-2-ol?
The IUPAC name of oxetan-2-ol (CID 175273147) is oxetan-2-ol.
What is the SMILES notation for oxetan-2-ol?
The canonical SMILES for oxetan-2-ol is OC1CCO1.OC1CCO1.
What is the InChIKey of oxetan-2-ol?
The InChIKey is ZIJCSJSTUXANJF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O2/c2*4-3-1-2-5-3/h2*3-4H,1-2H2.
What are the key properties of oxetan-2-ol?
oxetan-2-ol has a molecular weight of 148.16 g/mol, XLogP of -0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-2-ol is sourced from PubChem (CID 175273147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).