bicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene

C16H14 — CID 54413648

IUPACbicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESC1=CC=CC2=CC=CC=CC=CC2=CC=C1
InChIInChI=1S/C16H14/c1-3-7-11-15-13-9-5-2-6-10-14-16(15)12-8-4-1/h1-14H
InChIKeyVVWHUSKZLPCMIO-UHFFFAOYSA-N
MW206.29 g/mol
LogP4.20
Rot. Bonds

About bicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene

bicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 54413648) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is bicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Namebicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID54413648
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Namebicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESC1=CC=CC2=CC=CC=CC=CC2=CC=C1
InChIInChI=1S/C16H14/c1-3-7-11-15-13-9-5-2-6-10-14-16(15)12-8-4-1/h1-14H
InChIKeyVVWHUSKZLPCMIO-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of bicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene (CID 54413648) is bicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for bicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for bicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene is C1=CC=CC2=CC=CC=CC=CC2=CC=C1.
What is the InChIKey of bicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is VVWHUSKZLPCMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14/c1-3-7-11-15-13-9-5-2-6-10-14-16(15)12-8-4-1/h1-14H.
What are the key properties of bicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene?
bicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 206.29 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[7.7.0]hexadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 54413648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).