6-hydroxytricyclo[3.2.1.02,7]octan-3-one

C8H10O2 — CID 72951771

IUPAC6-hydroxytricyclo[3.2.1.02,7]octan-3-one
SMILESO=C1CC2CC3C1C3C2O
InChIInChI=1S/C8H10O2/c9-5-2-3-1-4-6(5)7(4)8(3)10/h3-4,6-8,10H,1-2H2
InChIKeyZQRLHJNDJFEZJL-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.20
Rot. Bonds

About 6-hydroxytricyclo[3.2.1.02,7]octan-3-one

6-hydroxytricyclo[3.2.1.02,7]octan-3-one (PubChem CID 72951771) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 6-hydroxytricyclo[3.2.1.02,7]octan-3-one.

Molecular Properties

Compound Name6-hydroxytricyclo[3.2.1.02,7]octan-3-one
PubChem CID72951771
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name6-hydroxytricyclo[3.2.1.02,7]octan-3-one
SMILESO=C1CC2CC3C1C3C2O
InChIInChI=1S/C8H10O2/c9-5-2-3-1-4-6(5)7(4)8(3)10/h3-4,6-8,10H,1-2H2
InChIKeyZQRLHJNDJFEZJL-UHFFFAOYSA-N
XLogP0.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxytricyclo[3.2.1.02,7]octan-3-one?
The IUPAC name of 6-hydroxytricyclo[3.2.1.02,7]octan-3-one (CID 72951771) is 6-hydroxytricyclo[3.2.1.02,7]octan-3-one.
What is the SMILES notation for 6-hydroxytricyclo[3.2.1.02,7]octan-3-one?
The canonical SMILES for 6-hydroxytricyclo[3.2.1.02,7]octan-3-one is O=C1CC2CC3C1C3C2O.
What is the InChIKey of 6-hydroxytricyclo[3.2.1.02,7]octan-3-one?
The InChIKey is ZQRLHJNDJFEZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-5-2-3-1-4-6(5)7(4)8(3)10/h3-4,6-8,10H,1-2H2.
What are the key properties of 6-hydroxytricyclo[3.2.1.02,7]octan-3-one?
6-hydroxytricyclo[3.2.1.02,7]octan-3-one has a molecular weight of 138.17 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxytricyclo[3.2.1.02,7]octan-3-one is sourced from PubChem (CID 72951771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).