dispiro[2.1.25.13]octan-8-one

C8H10O — CID 15329627

IUPACdispiro[2.1.25.13]octan-8-one
SMILESO=C1C2(CC2)CC12CC2
InChIInChI=1S/C8H10O/c9-6-7(1-2-7)5-8(6)3-4-8/h1-5H2
InChIKeyQJPCXYPRTQCYLU-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.52
Rot. Bonds

About dispiro[2.1.25.13]octan-8-one

dispiro[2.1.25.13]octan-8-one (PubChem CID 15329627) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is dispiro[2.1.25.13]octan-8-one.

Molecular Properties

Compound Namedispiro[2.1.25.13]octan-8-one
PubChem CID15329627
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Namedispiro[2.1.25.13]octan-8-one
SMILESO=C1C2(CC2)CC12CC2
InChIInChI=1S/C8H10O/c9-6-7(1-2-7)5-8(6)3-4-8/h1-5H2
InChIKeyQJPCXYPRTQCYLU-UHFFFAOYSA-N
XLogP1.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dispiro[2.1.25.13]octan-8-one?
The IUPAC name of dispiro[2.1.25.13]octan-8-one (CID 15329627) is dispiro[2.1.25.13]octan-8-one.
What is the SMILES notation for dispiro[2.1.25.13]octan-8-one?
The canonical SMILES for dispiro[2.1.25.13]octan-8-one is O=C1C2(CC2)CC12CC2.
What is the InChIKey of dispiro[2.1.25.13]octan-8-one?
The InChIKey is QJPCXYPRTQCYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c9-6-7(1-2-7)5-8(6)3-4-8/h1-5H2.
What are the key properties of dispiro[2.1.25.13]octan-8-one?
dispiro[2.1.25.13]octan-8-one has a molecular weight of 122.17 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dispiro[2.1.25.13]octan-8-one is sourced from PubChem (CID 15329627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).