6-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one

C20H24O — CID 67142670

IUPAC6-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one
SMILESCC(C)Cc1ccc2c(c1)CCC(=O)C21CC2C=CC1C2
InChIInChI=1S/C20H24O/c1-13(2)9-14-4-7-18-16(10-14)5-8-19(21)20(18)12-15-3-6-17(20)11-15/h3-4,6-7,10,13,15,17H,5,8-9,11-12H2,1-2H3
InChIKeyBBENASHRDYXMTA-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.23
Rot. Bonds2

About 6-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one

6-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one (PubChem CID 67142670) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 6-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one.

Molecular Properties

Compound Name6-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one
PubChem CID67142670
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name6-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one
SMILESCC(C)Cc1ccc2c(c1)CCC(=O)C21CC2C=CC1C2
InChIInChI=1S/C20H24O/c1-13(2)9-14-4-7-18-16(10-14)5-8-19(21)20(18)12-15-3-6-17(20)11-15/h3-4,6-7,10,13,15,17H,5,8-9,11-12H2,1-2H3
InChIKeyBBENASHRDYXMTA-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
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-(2-methylpropyl)spiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993777
6-methoxyspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993913
7-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
CID 173380727
7-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]
CID 173380746
8-(2-methylpropyl)spiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]
CID 173380701
8-(2-methylpropyl)spiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67143165
8-(2-methylpropyl)spiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67144269
4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine
CID 170264130
6-butan-2-ylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]
CID 173380601
6-ethylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67994254
6-butylspiro[3,4-dihydroanthracene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67994339
1,1,4,4-tetramethyl-6-(2-methylpropyl)-2,3-dihydronaphthalene
CID 59409873

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one?
The IUPAC name of 6-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one (CID 67142670) is 6-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one.
What is the SMILES notation for 6-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one?
The canonical SMILES for 6-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one is CC(C)Cc1ccc2c(c1)CCC(=O)C21CC2C=CC1C2.
What is the InChIKey of 6-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one?
The InChIKey is BBENASHRDYXMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-13(2)9-14-4-7-18-16(10-14)5-8-19(21)20(18)12-15-3-6-17(20)11-15/h3-4,6-7,10,13,15,17H,5,8-9,11-12H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one?
6-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one has a molecular weight of 280.41 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)spiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one is sourced from PubChem (CID 67142670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).