5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene

C18H15I — CID 134864318

IUPAC5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
SMILESIC#Cc1cc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C18H15I/c19-12-11-18-13-16-6-5-14-1-3-15(4-2-14)7-9-17(18)10-8-16/h1-4,8,10,13H,5-7,9H2
InChIKeyGEQKEXLYJFFUBM-UHFFFAOYSA-N
MW358.22 g/mol
LogP4.31
Rot. Bonds

About 5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene

5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene (PubChem CID 134864318) has the molecular formula C18H15I and a molecular weight of 358.22 g/mol. Its IUPAC name is 5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene.

Molecular Properties

Compound Name5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
PubChem CID134864318
Molecular FormulaC18H15I
Molecular Weight358.22 g/mol
Exact Mass358.02
IUPAC Name5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene
SMILESIC#Cc1cc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C18H15I/c19-12-11-18-13-16-6-5-14-1-3-15(4-2-14)7-9-17(18)10-8-16/h1-4,8,10,13H,5-7,9H2
InChIKeyGEQKEXLYJFFUBM-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The IUPAC name of 5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene (CID 134864318) is 5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene.
What is the SMILES notation for 5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The canonical SMILES for 5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene is IC#Cc1cc2ccc1CCc1ccc(cc1)CC2.
What is the InChIKey of 5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
The InChIKey is GEQKEXLYJFFUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15I/c19-12-11-18-13-16-6-5-14-1-3-15(4-2-14)7-9-17(18)10-8-16/h1-4,8,10,13H,5-7,9H2.
What are the key properties of 5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene?
5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene has a molecular weight of 358.22 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iodoethynyl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene is sourced from PubChem (CID 134864318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).