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

C18H20O — CID 67994127

IUPAC5-ethylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one
SMILESCCc1cccc2c1CC1(CC2=O)CC2C=CC1C2
InChIInChI=1S/C18H20O/c1-2-13-4-3-5-15-16(13)10-18(11-17(15)19)9-12-6-7-14(18)8-12/h3-7,12,14H,2,8-11H2,1H3
InChIKeyFNYFHJFQLZRLIY-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.96
Rot. Bonds1

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

5-ethylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one (PubChem CID 67994127) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-ethylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one.

Molecular Properties

Compound Name5-ethylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one
PubChem CID67994127
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name5-ethylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one
SMILESCCc1cccc2c1CC1(CC2=O)CC2C=CC1C2
InChIInChI=1S/C18H20O/c1-2-13-4-3-5-15-16(13)10-18(11-17(15)19)9-12-6-7-14(18)8-12/h3-7,12,14H,2,8-11H2,1H3
InChIKeyFNYFHJFQLZRLIY-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.96
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

8-(2-methylpropyl)spiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67144269
5-ethylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993819
8-butan-2-ylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67142666
6-butylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67993381
7-tert-butylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67994217
5-ethyl-3,4-dihydro-2H-naphthalen-1-one
CID 589817
5-ethylspiro[1,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993661
8-(2-methylpropyl)spiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67143165
5-butylspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]
CID 173380606
8-ethyl-2,2-dimethyl-3H-chromen-4-one
CID 64698496
5-methylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993663
3-acetyl-5-ethyl-3-(trifluoromethyl)-4H-isochromen-1-one
CID 165441738

Frequently Asked Questions

What is the IUPAC name of 5-ethylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one?
The IUPAC name of 5-ethylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one (CID 67994127) is 5-ethylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one.
What is the SMILES notation for 5-ethylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one?
The canonical SMILES for 5-ethylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one is CCc1cccc2c1CC1(CC2=O)CC2C=CC1C2.
What is the InChIKey of 5-ethylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one?
The InChIKey is FNYFHJFQLZRLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-2-13-4-3-5-15-16(13)10-18(11-17(15)19)9-12-6-7-14(18)8-12/h3-7,12,14H,2,8-11H2,1H3.
What are the key properties of 5-ethylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one?
5-ethylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one has a molecular weight of 252.36 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one is sourced from PubChem (CID 67994127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).