2-oxabicyclo[2.2.1]heptane-3,4-diol

C6H10O3 — CID 68516555

IUPAC2-oxabicyclo[2.2.1]heptane-3,4-diol
SMILESOC1OC2CCC1(O)C2
InChIInChI=1S/C6H10O3/c7-5-6(8)2-1-4(3-6)9-5/h4-5,7-8H,1-3H2
InChIKeyNPPIVHJACFRRSM-UHFFFAOYSA-N
MW130.14 g/mol
LogP-0.38
Rot. Bonds

About 2-oxabicyclo[2.2.1]heptane-3,4-diol

2-oxabicyclo[2.2.1]heptane-3,4-diol (PubChem CID 68516555) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-oxabicyclo[2.2.1]heptane-3,4-diol.

Molecular Properties

Compound Name2-oxabicyclo[2.2.1]heptane-3,4-diol
PubChem CID68516555
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-oxabicyclo[2.2.1]heptane-3,4-diol
SMILESOC1OC2CCC1(O)C2
InChIInChI=1S/C6H10O3/c7-5-6(8)2-1-4(3-6)9-5/h4-5,7-8H,1-3H2
InChIKeyNPPIVHJACFRRSM-UHFFFAOYSA-N
XLogP-0.38
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 ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[2.2.1]heptane-3,4-diol?
The IUPAC name of 2-oxabicyclo[2.2.1]heptane-3,4-diol (CID 68516555) is 2-oxabicyclo[2.2.1]heptane-3,4-diol.
What is the SMILES notation for 2-oxabicyclo[2.2.1]heptane-3,4-diol?
The canonical SMILES for 2-oxabicyclo[2.2.1]heptane-3,4-diol is OC1OC2CCC1(O)C2.
What is the InChIKey of 2-oxabicyclo[2.2.1]heptane-3,4-diol?
The InChIKey is NPPIVHJACFRRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c7-5-6(8)2-1-4(3-6)9-5/h4-5,7-8H,1-3H2.
What are the key properties of 2-oxabicyclo[2.2.1]heptane-3,4-diol?
2-oxabicyclo[2.2.1]heptane-3,4-diol has a molecular weight of 130.14 g/mol, XLogP of -0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[2.2.1]heptane-3,4-diol is sourced from PubChem (CID 68516555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).