2,5-dioxabicyclo[2.2.1]heptan-7-ol

C5H8O3 — CID 14308604

IUPAC2,5-dioxabicyclo[2.2.1]heptan-7-ol
SMILESOC1C2COC1CO2
InChIInChI=1S/C5H8O3/c6-5-3-1-7-4(5)2-8-3/h3-6H,1-2H2
InChIKeyTWAUQACUGRGKAP-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.86
Rot. Bonds

About 2,5-dioxabicyclo[2.2.1]heptan-7-ol

2,5-dioxabicyclo[2.2.1]heptan-7-ol (PubChem CID 14308604) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 2,5-dioxabicyclo[2.2.1]heptan-7-ol.

Molecular Properties

Compound Name2,5-dioxabicyclo[2.2.1]heptan-7-ol
PubChem CID14308604
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name2,5-dioxabicyclo[2.2.1]heptan-7-ol
SMILESOC1C2COC1CO2
InChIInChI=1S/C5H8O3/c6-5-3-1-7-4(5)2-8-3/h3-6H,1-2H2
InChIKeyTWAUQACUGRGKAP-UHFFFAOYSA-N
XLogP-0.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxabicyclo[2.2.1]heptan-7-ol?
The IUPAC name of 2,5-dioxabicyclo[2.2.1]heptan-7-ol (CID 14308604) is 2,5-dioxabicyclo[2.2.1]heptan-7-ol.
What is the SMILES notation for 2,5-dioxabicyclo[2.2.1]heptan-7-ol?
The canonical SMILES for 2,5-dioxabicyclo[2.2.1]heptan-7-ol is OC1C2COC1CO2.
What is the InChIKey of 2,5-dioxabicyclo[2.2.1]heptan-7-ol?
The InChIKey is TWAUQACUGRGKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c6-5-3-1-7-4(5)2-8-3/h3-6H,1-2H2.
What are the key properties of 2,5-dioxabicyclo[2.2.1]heptan-7-ol?
2,5-dioxabicyclo[2.2.1]heptan-7-ol has a molecular weight of 116.12 g/mol, XLogP of -0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxabicyclo[2.2.1]heptan-7-ol is sourced from PubChem (CID 14308604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).