7-oxabicyclo[2.2.1]heptane-2,3-diol

C6H10O3 — CID 130146529

IUPAC7-oxabicyclo[2.2.1]heptane-2,3-diol
SMILESOC1C2CCC(O2)C1O
InChIInChI=1S/C6H10O3/c7-5-3-1-2-4(9-3)6(5)8/h3-8H,1-2H2
InChIKeyZYEAPKSKKCSMCG-UHFFFAOYSA-N
MW130.14 g/mol
LogP-0.73
Rot. Bonds

About 7-oxabicyclo[2.2.1]heptane-2,3-diol

7-oxabicyclo[2.2.1]heptane-2,3-diol (PubChem CID 130146529) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]heptane-2,3-diol.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]heptane-2,3-diol
PubChem CID130146529
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name7-oxabicyclo[2.2.1]heptane-2,3-diol
SMILESOC1C2CCC(O2)C1O
InChIInChI=1S/C6H10O3/c7-5-3-1-2-4(9-3)6(5)8/h3-8H,1-2H2
InChIKeyZYEAPKSKKCSMCG-UHFFFAOYSA-N
XLogP-0.73
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dioxabicyclo[3.2.1]octane-3,8-diol
CID 176878454
(1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol
CID 93481856
(1S,4S)-5-oxabicyclo[2.1.0]pentane
CID 98125749
3-methyl-9-oxabicyclo[3.3.1]nonane-2,6-diol
CID 57374370
(1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol
CID 12636256
2-oxabicyclo[1.1.1]pentan-4-ol
CID 171036027
(2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 146233971
4-amino-3-propyl-8-oxabicyclo[3.2.1]octan-2-ol
CID 123252200
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750
(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824
3,8-dioxatricyclo[3.2.1.02,4]octane
CID 15647432
(1R,2R,5R,6R)-6-bromo-9-oxabicyclo[3.3.1]nonan-2-ol
CID 14492178

Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[2.2.1]heptane-2,3-diol?
The IUPAC name of 7-oxabicyclo[2.2.1]heptane-2,3-diol (CID 130146529) is 7-oxabicyclo[2.2.1]heptane-2,3-diol.
What is the SMILES notation for 7-oxabicyclo[2.2.1]heptane-2,3-diol?
The canonical SMILES for 7-oxabicyclo[2.2.1]heptane-2,3-diol is OC1C2CCC(O2)C1O.
What is the InChIKey of 7-oxabicyclo[2.2.1]heptane-2,3-diol?
The InChIKey is ZYEAPKSKKCSMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c7-5-3-1-2-4(9-3)6(5)8/h3-8H,1-2H2.
What are the key properties of 7-oxabicyclo[2.2.1]heptane-2,3-diol?
7-oxabicyclo[2.2.1]heptane-2,3-diol has a molecular weight of 130.14 g/mol, XLogP of -0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[2.2.1]heptane-2,3-diol is sourced from PubChem (CID 130146529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).