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

C19H22O — CID 67143181

IUPAC8-propan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
SMILESCC(C)c1cccc2c1C1(CC3=CCC1C3)C(=O)CC2
InChIInChI=1S/C19H22O/c1-12(2)16-5-3-4-14-7-9-17(20)19(18(14)16)11-13-6-8-15(19)10-13/h3-6,12,15H,7-11H2,1-2H3
InChIKeyOIEFPUDTUFMUIM-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.30
Rot. Bonds1

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

8-propan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one (PubChem CID 67143181) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 8-propan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one.

Molecular Properties

Compound Name8-propan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
PubChem CID67143181
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name8-propan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
SMILESCC(C)c1cccc2c1C1(CC3=CCC1C3)C(=O)CC2
InChIInChI=1S/C19H22O/c1-12(2)16-5-3-4-14-7-9-17(20)19(18(14)16)11-13-6-8-15(19)10-13/h3-6,12,15H,7-11H2,1-2H3
InChIKeyOIEFPUDTUFMUIM-UHFFFAOYSA-N
XLogP4.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-butan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143164
5-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143952
6-phenylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67993629
7-ethylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67993723
5-cyclohexylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143177
8-(2-methylpropyl)spiro[3,4-dihydronaphthalene-2,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67144251
5-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143994
7-propan-2-yl-2,3-dihydroinden-1-one
CID 45096604
7-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143267
5-methylspiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]
CID 173380787
5-butan-2-ylspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 123695750
8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 123207863

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one?
The IUPAC name of 8-propan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one (CID 67143181) is 8-propan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one.
What is the SMILES notation for 8-propan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one?
The canonical SMILES for 8-propan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one is CC(C)c1cccc2c1C1(CC3=CCC1C3)C(=O)CC2.
What is the InChIKey of 8-propan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one?
The InChIKey is OIEFPUDTUFMUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-12(2)16-5-3-4-14-7-9-17(20)19(18(14)16)11-13-6-8-15(19)10-13/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of 8-propan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one?
8-propan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one has a molecular weight of 266.38 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one is sourced from PubChem (CID 67143181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).