2,4-dioxabicyclo[3.2.1]octane-3,8-diol

C6H10O4 — CID 176878454

IUPAC2,4-dioxabicyclo[3.2.1]octane-3,8-diol
SMILESOC1OC2CCC(O1)C2O
InChIInChI=1S/C6H10O4/c7-5-3-1-2-4(5)10-6(8)9-3/h3-8H,1-2H2
InChIKeyVWAHITHBTUCSHR-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.80
Rot. Bonds

About 2,4-dioxabicyclo[3.2.1]octane-3,8-diol

2,4-dioxabicyclo[3.2.1]octane-3,8-diol (PubChem CID 176878454) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2,4-dioxabicyclo[3.2.1]octane-3,8-diol.

Molecular Properties

Compound Name2,4-dioxabicyclo[3.2.1]octane-3,8-diol
PubChem CID176878454
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2,4-dioxabicyclo[3.2.1]octane-3,8-diol
SMILESOC1OC2CCC(O1)C2O
InChIInChI=1S/C6H10O4/c7-5-3-1-2-4(5)10-6(8)9-3/h3-8H,1-2H2
InChIKeyVWAHITHBTUCSHR-UHFFFAOYSA-N
XLogP-0.80
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-oxabicyclo[2.2.1]heptane-2,3-diol
CID 130146529
2-oxabicyclo[1.1.1]pentan-4-ol
CID 171036027
(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
2,6-dioxatricyclo[3.3.1.13,7]decan-4-ol
CID 557355
(2R)-3-hydroxy-N,N-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 146233971
(1R,6R)-7-oxabicyclo[4.1.0]heptan-3-ol
CID 12636256
(1R,2R,5S)-2-deuterio-6-oxabicyclo[3.1.0]hexan-2-ol
CID 131873297
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

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxabicyclo[3.2.1]octane-3,8-diol?
The IUPAC name of 2,4-dioxabicyclo[3.2.1]octane-3,8-diol (CID 176878454) is 2,4-dioxabicyclo[3.2.1]octane-3,8-diol.
What is the SMILES notation for 2,4-dioxabicyclo[3.2.1]octane-3,8-diol?
The canonical SMILES for 2,4-dioxabicyclo[3.2.1]octane-3,8-diol is OC1OC2CCC(O1)C2O.
What is the InChIKey of 2,4-dioxabicyclo[3.2.1]octane-3,8-diol?
The InChIKey is VWAHITHBTUCSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c7-5-3-1-2-4(5)10-6(8)9-3/h3-8H,1-2H2.
What are the key properties of 2,4-dioxabicyclo[3.2.1]octane-3,8-diol?
2,4-dioxabicyclo[3.2.1]octane-3,8-diol has a molecular weight of 146.14 g/mol, XLogP of -0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxabicyclo[3.2.1]octane-3,8-diol is sourced from PubChem (CID 176878454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).