8-methoxyspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one

C17H18O2 — CID 67993742

IUPAC8-methoxyspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
SMILESCOc1cccc2c1C(=O)CCC21CC2=CCC1C2
InChIInChI=1S/C17H18O2/c1-19-15-4-2-3-13-16(15)14(18)7-8-17(13)10-11-5-6-12(17)9-11/h2-5,12H,6-10H2,1H3
InChIKeyFMMQQQBTMOLVFX-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.65
Rot. Bonds1

About 8-methoxyspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one

8-methoxyspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one (PubChem CID 67993742) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 8-methoxyspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one.

Molecular Properties

Compound Name8-methoxyspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
PubChem CID67993742
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name8-methoxyspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
SMILESCOc1cccc2c1C(=O)CCC21CC2=CCC1C2
InChIInChI=1S/C17H18O2/c1-19-15-4-2-3-13-16(15)14(18)7-8-17(13)10-11-5-6-12(17)9-11/h2-5,12H,6-10H2,1H3
InChIKeyFMMQQQBTMOLVFX-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxyspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
The IUPAC name of 8-methoxyspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one (CID 67993742) is 8-methoxyspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one.
What is the SMILES notation for 8-methoxyspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
The canonical SMILES for 8-methoxyspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one is COc1cccc2c1C(=O)CCC21CC2=CCC1C2.
What is the InChIKey of 8-methoxyspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
The InChIKey is FMMQQQBTMOLVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-19-15-4-2-3-13-16(15)14(18)7-8-17(13)10-11-5-6-12(17)9-11/h2-5,12H,6-10H2,1H3.
What are the key properties of 8-methoxyspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
8-methoxyspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one has a molecular weight of 254.33 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxyspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one is sourced from PubChem (CID 67993742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).