5-ethenyl-8H-cyclohepta[b]naphthalene

C17H14 — CID 144799391

IUPAC5-ethenyl-8H-cyclohepta[b]naphthalene
SMILESC=Cc1c2c(cc3ccccc13)C=CCC=C2
InChIInChI=1S/C17H14/c1-2-15-16-10-5-3-4-8-13(16)12-14-9-6-7-11-17(14)15/h2,4-12H,1,3H2
InChIKeyOZIKGBNAZJBDMN-UHFFFAOYSA-N
MW218.30 g/mol
LogP4.91
Rot. Bonds1

About 5-ethenyl-8H-cyclohepta[b]naphthalene

5-ethenyl-8H-cyclohepta[b]naphthalene (PubChem CID 144799391) has the molecular formula C17H14 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-ethenyl-8H-cyclohepta[b]naphthalene.

Molecular Properties

Compound Name5-ethenyl-8H-cyclohepta[b]naphthalene
PubChem CID144799391
Molecular FormulaC17H14
Molecular Weight218.30 g/mol
Exact Mass218.11
IUPAC Name5-ethenyl-8H-cyclohepta[b]naphthalene
SMILESC=Cc1c2c(cc3ccccc13)C=CCC=C2
InChIInChI=1S/C17H14/c1-2-15-16-10-5-3-4-8-13(16)12-14-9-6-7-11-17(14)15/h2,4-12H,1,3H2
InChIKeyOZIKGBNAZJBDMN-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-8H-cyclohepta[b]naphthalene?
The IUPAC name of 5-ethenyl-8H-cyclohepta[b]naphthalene (CID 144799391) is 5-ethenyl-8H-cyclohepta[b]naphthalene.
What is the SMILES notation for 5-ethenyl-8H-cyclohepta[b]naphthalene?
The canonical SMILES for 5-ethenyl-8H-cyclohepta[b]naphthalene is C=Cc1c2c(cc3ccccc13)C=CCC=C2.
What is the InChIKey of 5-ethenyl-8H-cyclohepta[b]naphthalene?
The InChIKey is OZIKGBNAZJBDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14/c1-2-15-16-10-5-3-4-8-13(16)12-14-9-6-7-11-17(14)15/h2,4-12H,1,3H2.
What are the key properties of 5-ethenyl-8H-cyclohepta[b]naphthalene?
5-ethenyl-8H-cyclohepta[b]naphthalene has a molecular weight of 218.30 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-8H-cyclohepta[b]naphthalene is sourced from PubChem (CID 144799391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).