6-oxaspiro[3.4]octan-8-one

C7H10O2 — CID 155893852

IUPAC6-oxaspiro[3.4]octan-8-one
SMILESO=C1COCC12CCC2
InChIInChI=1S/C7H10O2/c8-6-4-9-5-7(6)2-1-3-7/h1-5H2
InChIKeyJESNOQFUFJJVLQ-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.76
Rot. Bonds

About 6-oxaspiro[3.4]octan-8-one

6-oxaspiro[3.4]octan-8-one (PubChem CID 155893852) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 6-oxaspiro[3.4]octan-8-one.

Molecular Properties

Compound Name6-oxaspiro[3.4]octan-8-one
PubChem CID155893852
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name6-oxaspiro[3.4]octan-8-one
SMILESO=C1COCC12CCC2
InChIInChI=1S/C7H10O2/c8-6-4-9-5-7(6)2-1-3-7/h1-5H2
InChIKeyJESNOQFUFJJVLQ-UHFFFAOYSA-N
XLogP0.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxaspiro[3.4]octan-8-one?
The IUPAC name of 6-oxaspiro[3.4]octan-8-one (CID 155893852) is 6-oxaspiro[3.4]octan-8-one.
What is the SMILES notation for 6-oxaspiro[3.4]octan-8-one?
The canonical SMILES for 6-oxaspiro[3.4]octan-8-one is O=C1COCC12CCC2.
What is the InChIKey of 6-oxaspiro[3.4]octan-8-one?
The InChIKey is JESNOQFUFJJVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-6-4-9-5-7(6)2-1-3-7/h1-5H2.
What are the key properties of 6-oxaspiro[3.4]octan-8-one?
6-oxaspiro[3.4]octan-8-one has a molecular weight of 126.16 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxaspiro[3.4]octan-8-one is sourced from PubChem (CID 155893852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).