6-cyclohexylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]

C22H28 — CID 123339961

IUPAC6-cyclohexylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]
SMILESC1=C2CC(C1)C1(CCc3ccc(C4CCCCC4)cc3C1)C2
InChIInChI=1S/C22H28/c1-2-4-17(5-3-1)19-8-7-18-10-11-22(15-20(18)13-19)14-16-6-9-21(22)12-16/h6-8,13,17,21H,1-5,9-12,14-15H2
InChIKeyVDCDVYLQIQLTGF-UHFFFAOYSA-N
MW292.47 g/mol
LogP5.95
Rot. Bonds1

About 6-cyclohexylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]

6-cyclohexylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene] (PubChem CID 123339961) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 6-cyclohexylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene].

Molecular Properties

Compound Name6-cyclohexylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]
PubChem CID123339961
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name6-cyclohexylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]
SMILESC1=C2CC(C1)C1(CCc3ccc(C4CCCCC4)cc3C1)C2
InChIInChI=1S/C22H28/c1-2-4-17(5-3-1)19-8-7-18-10-11-22(15-20(18)13-19)14-16-6-9-21(22)12-16/h6-8,13,17,21H,1-5,9-12,14-15H2
InChIKeyVDCDVYLQIQLTGF-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-cyclohexylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclohexylspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 123151162
spiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 123433120
6-cyclohexylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene]
CID 173380570
7-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143267
8-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 123207863
5-butan-2-ylspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 123695750
8-cyclohexylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67143224
5-cyclohexylspiro[2,3-dihydroanthracene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67143992
5-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143994
3,6-dicyclohexyl-9H-fluorene
CID 87146028
5-cyclohexylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67143150
5-cyclohexylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143177

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]?
The IUPAC name of 6-cyclohexylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene] (CID 123339961) is 6-cyclohexylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene].
What is the SMILES notation for 6-cyclohexylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]?
The canonical SMILES for 6-cyclohexylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene] is C1=C2CC(C1)C1(CCc3ccc(C4CCCCC4)cc3C1)C2.
What is the InChIKey of 6-cyclohexylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]?
The InChIKey is VDCDVYLQIQLTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-2-4-17(5-3-1)19-8-7-18-10-11-22(15-20(18)13-19)14-16-6-9-21(22)12-16/h6-8,13,17,21H,1-5,9-12,14-15H2.
What are the key properties of 6-cyclohexylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]?
6-cyclohexylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene] has a molecular weight of 292.47 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-1-ene] is sourced from PubChem (CID 123339961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).