7-methoxyspiro[2.5]oct-7-en-6-one

C9H12O2 — CID 165441540

IUPAC7-methoxyspiro[2.5]oct-7-en-6-one
SMILESCOC1=CC2(CCC1=O)CC2
InChIInChI=1S/C9H12O2/c1-11-8-6-9(4-5-9)3-2-7(8)10/h6H,2-5H2,1H3
InChIKeyFHRIMVLLHOAVMX-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.66
Rot. Bonds1

About 7-methoxyspiro[2.5]oct-7-en-6-one

7-methoxyspiro[2.5]oct-7-en-6-one (PubChem CID 165441540) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 7-methoxyspiro[2.5]oct-7-en-6-one.

Molecular Properties

Compound Name7-methoxyspiro[2.5]oct-7-en-6-one
PubChem CID165441540
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name7-methoxyspiro[2.5]oct-7-en-6-one
SMILESCOC1=CC2(CCC1=O)CC2
InChIInChI=1S/C9H12O2/c1-11-8-6-9(4-5-9)3-2-7(8)10/h6H,2-5H2,1H3
InChIKeyFHRIMVLLHOAVMX-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxyspiro[2.5]oct-7-en-6-one?
The IUPAC name of 7-methoxyspiro[2.5]oct-7-en-6-one (CID 165441540) is 7-methoxyspiro[2.5]oct-7-en-6-one.
What is the SMILES notation for 7-methoxyspiro[2.5]oct-7-en-6-one?
The canonical SMILES for 7-methoxyspiro[2.5]oct-7-en-6-one is COC1=CC2(CCC1=O)CC2.
What is the InChIKey of 7-methoxyspiro[2.5]oct-7-en-6-one?
The InChIKey is FHRIMVLLHOAVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-11-8-6-9(4-5-9)3-2-7(8)10/h6H,2-5H2,1H3.
What are the key properties of 7-methoxyspiro[2.5]oct-7-en-6-one?
7-methoxyspiro[2.5]oct-7-en-6-one has a molecular weight of 152.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyspiro[2.5]oct-7-en-6-one is sourced from PubChem (CID 165441540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).