8-(2-methylpropyl)spiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one

C20H24O — CID 67144269

IUPAC8-(2-methylpropyl)spiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one
SMILESCC(C)Cc1cccc2c1C(=O)CC1(C2)CC2C=CC1C2
InChIInChI=1S/C20H24O/c1-13(2)8-15-4-3-5-16-11-20(12-18(21)19(15)16)10-14-6-7-17(20)9-14/h3-7,13-14,17H,8-12H2,1-2H3
InChIKeyDGLHIULOKXHGGD-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.60
Rot. Bonds2

About 8-(2-methylpropyl)spiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one

8-(2-methylpropyl)spiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one (PubChem CID 67144269) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 8-(2-methylpropyl)spiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one.

Molecular Properties

Compound Name8-(2-methylpropyl)spiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one
PubChem CID67144269
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name8-(2-methylpropyl)spiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one
SMILESCC(C)Cc1cccc2c1C(=O)CC1(C2)CC2C=CC1C2
InChIInChI=1S/C20H24O/c1-13(2)8-15-4-3-5-16-11-20(12-18(21)19(15)16)10-14-6-7-17(20)9-14/h3-7,13-14,17H,8-12H2,1-2H3
InChIKeyDGLHIULOKXHGGD-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.60
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-butan-2-ylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67142666
8-(2-methylpropyl)spiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67143165
5-ethylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67994127
7-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]
CID 173380746
6-butylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67993381
5-(2-methylpropyl)spiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993777
7-tert-butylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67994217
5-ethylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993819
8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]
CID 173380701
6-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67142670
5-butylspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]
CID 173380606
8-(2-methylpropyl)spiro[3,4-dihydronaphthalene-2,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67144251

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropyl)spiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one?
The IUPAC name of 8-(2-methylpropyl)spiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one (CID 67144269) is 8-(2-methylpropyl)spiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one.
What is the SMILES notation for 8-(2-methylpropyl)spiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one?
The canonical SMILES for 8-(2-methylpropyl)spiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one is CC(C)Cc1cccc2c1C(=O)CC1(C2)CC2C=CC1C2.
What is the InChIKey of 8-(2-methylpropyl)spiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one?
The InChIKey is DGLHIULOKXHGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-13(2)8-15-4-3-5-16-11-20(12-18(21)19(15)16)10-14-6-7-17(20)9-14/h3-7,13-14,17H,8-12H2,1-2H3.
What are the key properties of 8-(2-methylpropyl)spiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one?
8-(2-methylpropyl)spiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one has a molecular weight of 280.41 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropyl)spiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one is sourced from PubChem (CID 67144269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).