11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

C18H22 — CID 102290615

IUPAC11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESCCCCCCC=C1C2C=CC1c1ccccc12
InChIInChI=1S/C18H22/c1-2-3-4-5-6-9-16-17-12-13-18(16)15-11-8-7-10-14(15)17/h7-13,17-18H,2-6H2,1H3
InChIKeyGQLKRZUWTFKQDA-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.33
Rot. Bonds5

About 11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (PubChem CID 102290615) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
PubChem CID102290615
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESCCCCCCC=C1C2C=CC1c1ccccc12
InChIInChI=1S/C18H22/c1-2-3-4-5-6-9-16-17-12-13-18(16)15-11-8-7-10-14(15)17/h7-13,17-18H,2-6H2,1H3
InChIKeyGQLKRZUWTFKQDA-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene 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

9-hexylidenefluorene
CID 58121399
1-[1-(1H-inden-1-yl)dec-1-enyl]-1H-indene
CID 151420770
9-nonyl-9H-fluorene
CID 22568532
CID 119078419
CID 119078419
(1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol
CID 11231456
[(E)-dec-1-enyl]-phenyliodanium
CID 10906117
[(E)-octadec-1-enyl]benzene
CID 22722345
hexyl-tris(1H-inden-1-yl)silane
CID 10837596
(1E)-1-hexylideneindene
CID 173434056
1,1'-biphenyl;hexadecane
CID 173308514
nonadec-10-enylbenzene
CID 54264053
dodec-4-enylbenzene
CID 54018856

Frequently Asked Questions

What is the IUPAC name of 11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The IUPAC name of 11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (CID 102290615) is 11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.
What is the SMILES notation for 11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The canonical SMILES for 11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is CCCCCCC=C1C2C=CC1c1ccccc12.
What is the InChIKey of 11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The InChIKey is GQLKRZUWTFKQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-2-3-4-5-6-9-16-17-12-13-18(16)15-11-8-7-10-14(15)17/h7-13,17-18H,2-6H2,1H3.
What are the key properties of 11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene has a molecular weight of 238.37 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-heptylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is sourced from PubChem (CID 102290615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).