2-oxabicyclo[1.1.1]pentan-4-ol

C4H6O2 — CID 171036027

IUPAC2-oxabicyclo[1.1.1]pentan-4-ol
SMILESOC1C2CC1O2
InChIInChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2
InChIKeyDNIDYLULSJXCFH-UHFFFAOYSA-N
MW86.09 g/mol
LogP-0.48
Rot. Bonds

About 2-oxabicyclo[1.1.1]pentan-4-ol

2-oxabicyclo[1.1.1]pentan-4-ol (PubChem CID 171036027) has the molecular formula C4H6O2 and a molecular weight of 86.09 g/mol. Its IUPAC name is 2-oxabicyclo[1.1.1]pentan-4-ol.

Molecular Properties

Compound Name2-oxabicyclo[1.1.1]pentan-4-ol
PubChem CID171036027
Molecular FormulaC4H6O2
Molecular Weight86.09 g/mol
Exact Mass86.04
IUPAC Name2-oxabicyclo[1.1.1]pentan-4-ol
SMILESOC1C2CC1O2
InChIInChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2
InChIKeyDNIDYLULSJXCFH-UHFFFAOYSA-N
XLogP-0.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dioxatricyclo[3.3.1.13,7]decan-4-ol
CID 557355
7-oxabicyclo[2.2.1]heptane-2,3-diol
CID 130146529
oxetane-2,4-diol
CID 20682895
(1R,2S,3S,5R)-6-oxabicyclo[3.1.0]hexane-2,3-diol
CID 98516260
oxane-2,3,4,6-tetrol
CID 123881821
(2S,4R,6R)-oxane-2,3,4,6-tetrol
CID 139552661
2,4-dioxabicyclo[3.2.1]octane-3,8-diol
CID 176878454
(2S,4S,5S,6R)-6-methyloxane-2,4,5-triol
CID 6543736
(1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide
CID 122644896
(1S,2S,4S,6S,7S,9S)-3,8,11-trioxatetracyclo[4.4.1.02,4.07,9]undecane
CID 162902554
(1R,2R,3S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 68732339
(2R,4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7057906

Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[1.1.1]pentan-4-ol?
The IUPAC name of 2-oxabicyclo[1.1.1]pentan-4-ol (CID 171036027) is 2-oxabicyclo[1.1.1]pentan-4-ol.
What is the SMILES notation for 2-oxabicyclo[1.1.1]pentan-4-ol?
The canonical SMILES for 2-oxabicyclo[1.1.1]pentan-4-ol is OC1C2CC1O2.
What is the InChIKey of 2-oxabicyclo[1.1.1]pentan-4-ol?
The InChIKey is DNIDYLULSJXCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2/c5-4-2-1-3(4)6-2/h2-5H,1H2.
What are the key properties of 2-oxabicyclo[1.1.1]pentan-4-ol?
2-oxabicyclo[1.1.1]pentan-4-ol has a molecular weight of 86.09 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[1.1.1]pentan-4-ol is sourced from PubChem (CID 171036027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).