2-oxabicyclo[2.2.1]heptan-4-ol

C6H10O2 — CID 67811115

IUPAC2-oxabicyclo[2.2.1]heptan-4-ol
SMILESOC12CCC(C1)OC2
InChIInChI=1S/C6H10O2/c7-6-2-1-5(3-6)8-4-6/h5,7H,1-4H2
InChIKeyXCMGXIREFJNUDR-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.30
Rot. Bonds

About 2-oxabicyclo[2.2.1]heptan-4-ol

2-oxabicyclo[2.2.1]heptan-4-ol (PubChem CID 67811115) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-oxabicyclo[2.2.1]heptan-4-ol.

Molecular Properties

Compound Name2-oxabicyclo[2.2.1]heptan-4-ol
PubChem CID67811115
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-oxabicyclo[2.2.1]heptan-4-ol
SMILESOC12CCC(C1)OC2
InChIInChI=1S/C6H10O2/c7-6-2-1-5(3-6)8-4-6/h5,7H,1-4H2
InChIKeyXCMGXIREFJNUDR-UHFFFAOYSA-N
XLogP0.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[2.2.1]heptan-4-ol?
The IUPAC name of 2-oxabicyclo[2.2.1]heptan-4-ol (CID 67811115) is 2-oxabicyclo[2.2.1]heptan-4-ol.
What is the SMILES notation for 2-oxabicyclo[2.2.1]heptan-4-ol?
The canonical SMILES for 2-oxabicyclo[2.2.1]heptan-4-ol is OC12CCC(C1)OC2.
What is the InChIKey of 2-oxabicyclo[2.2.1]heptan-4-ol?
The InChIKey is XCMGXIREFJNUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c7-6-2-1-5(3-6)8-4-6/h5,7H,1-4H2.
What are the key properties of 2-oxabicyclo[2.2.1]heptan-4-ol?
2-oxabicyclo[2.2.1]heptan-4-ol has a molecular weight of 114.14 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[2.2.1]heptan-4-ol is sourced from PubChem (CID 67811115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).