2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene

C21H22 — CID 134854212

IUPAC2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
SMILESC1=Cc2ccccc2C(C2CCCCC2)c2ccccc21
InChIInChI=1S/C21H22/c1-2-10-18(11-3-1)21-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)21/h4-9,12-15,18,21H,1-3,10-11H2
InChIKeyNODGYLIYYSDVGK-UHFFFAOYSA-N
MW274.41 g/mol
LogP5.88
Rot. Bonds1

About 2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene

2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene (PubChem CID 134854212) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
PubChem CID134854212
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
SMILESC1=Cc2ccccc2C(C2CCCCC2)c2ccccc21
InChIInChI=1S/C21H22/c1-2-10-18(11-3-1)21-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)21/h4-9,12-15,18,21H,1-3,10-11H2
InChIKeyNODGYLIYYSDVGK-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-1H-indene
CID 13380096
1-cyclohexyl-2-ethyl-1H-indene
CID 173422098
(4-fluorophenyl)-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidin-1-yl]methanone
CID 14253325
1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene;biphenylene
CID 161014557
1-cyclopropyl-1H-indene
CID 15439193
(1S)-1-cyclohexyl-1,2-dihydrophthalazine
CID 70001428
1-tert-butyl-4-[5-[(2-methylpropan-2-yl)oxy]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]piperidine
CID 54370589
(3S)-3-cyclohexyl-1-methyl-3H-indol-2-one
CID 135061670
7,7a,8,9,10,11,12,12a-octahydrobenzo[a]heptalen-7-amine
CID 166892849
1-[3-(2H-tetrazol-5-yl)propyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidine
CID 67760687
CID 68584635
CID 68584635
4-(5-methoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-oxido-1-propylpiperidin-1-ium
CID 88688788

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The IUPAC name of 2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene (CID 134854212) is 2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene.
What is the SMILES notation for 2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The canonical SMILES for 2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene is C1=Cc2ccccc2C(C2CCCCC2)c2ccccc21.
What is the InChIKey of 2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
The InChIKey is NODGYLIYYSDVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22/c1-2-10-18(11-3-1)21-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)21/h4-9,12-15,18,21H,1-3,10-11H2.
What are the key properties of 2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene?
2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene has a molecular weight of 274.41 g/mol, XLogP of 5.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene is sourced from PubChem (CID 134854212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).