7-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one

C26H28O — CID 67143267

IUPAC7-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
SMILESO=C1CCc2cc3ccc(C4CCCCC4)cc3cc2C12CC1=CCC2C1
InChIInChI=1S/C26H28O/c27-25-11-9-21-13-20-8-7-19(18-4-2-1-3-5-18)14-22(20)15-24(21)26(25)16-17-6-10-23(26)12-17/h6-8,13-15,18,23H,1-5,9-12,16H2
InChIKeyAUJAWYPZNGQLET-UHFFFAOYSA-N
MW356.51 g/mol
LogP6.38
Rot. Bonds1

About 7-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one

7-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one (PubChem CID 67143267) has the molecular formula C26H28O and a molecular weight of 356.51 g/mol. Its IUPAC name is 7-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one.

Molecular Properties

Compound Name7-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
PubChem CID67143267
Molecular FormulaC26H28O
Molecular Weight356.51 g/mol
Exact Mass356.21
IUPAC Name7-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
SMILESO=C1CCc2cc3ccc(C4CCCCC4)cc3cc2C12CC1=CCC2C1
InChIInChI=1S/C26H28O/c27-25-11-9-21-13-20-8-7-19(18-4-2-1-3-5-18)14-22(20)15-24(21)26(25)16-17-6-10-23(26)12-17/h6-8,13-15,18,23H,1-5,9-12,16H2
InChIKeyAUJAWYPZNGQLET-UHFFFAOYSA-N
XLogP6.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.38
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

6-cyclohexylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene]
CID 173380570
5-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143994
6-cyclohexylspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 123151162
5-cyclohexylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143177
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
6-cyclohexylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 123339961
6-cyclohexyl-1,2,3,4-tetrahydroanthracene
CID 141269352
7-cyclohexyl-3,4-dihydro-2H-anthracen-1-one
CID 174638632
2,6-dicyclopentylnaphthalene
CID 91354429
8-propan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143181
6-cyclohexyl-2,3-dihydroinden-1-one
CID 125481421

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one?
The IUPAC name of 7-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one (CID 67143267) is 7-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one.
What is the SMILES notation for 7-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one?
The canonical SMILES for 7-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one is O=C1CCc2cc3ccc(C4CCCCC4)cc3cc2C12CC1=CCC2C1.
What is the InChIKey of 7-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one?
The InChIKey is AUJAWYPZNGQLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O/c27-25-11-9-21-13-20-8-7-19(18-4-2-1-3-5-18)14-22(20)15-24(21)26(25)16-17-6-10-23(26)12-17/h6-8,13-15,18,23H,1-5,9-12,16H2.
What are the key properties of 7-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one?
7-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one has a molecular weight of 356.51 g/mol, XLogP of 6.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one is sourced from PubChem (CID 67143267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).