tricyclo[7.5.2.02,7]hexadeca-1,3,5,7,9,11,13-heptaen-16-one

C16H12O — CID 140988319

IUPACtricyclo[7.5.2.02,7]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
SMILESO=C1CC2=c3ccccc3=C/C1=C/C=C\C=C\2
InChIInChI=1S/C16H12O/c17-16-11-13-6-2-1-3-8-14(16)10-12-7-4-5-9-15(12)13/h1-10H,11H2/b2-1-,3-1-,6-2+,8-3-,13-6+,14-8-
InChIKeyYWNYFWWJKFHOIS-RMDVMZJZSA-N
MW220.27 g/mol
LogP1.64
Rot. Bonds

About tricyclo[7.5.2.02,7]hexadeca-1,3,5,7,9,11,13-heptaen-16-one

tricyclo[7.5.2.02,7]hexadeca-1,3,5,7,9,11,13-heptaen-16-one (PubChem CID 140988319) has the molecular formula C16H12O and a molecular weight of 220.27 g/mol. Its IUPAC name is tricyclo[7.5.2.02,7]hexadeca-1,3,5,7,9,11,13-heptaen-16-one.

Molecular Properties

Compound Nametricyclo[7.5.2.02,7]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
PubChem CID140988319
Molecular FormulaC16H12O
Molecular Weight220.27 g/mol
Exact Mass220.09
IUPAC Nametricyclo[7.5.2.02,7]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
SMILESO=C1CC2=c3ccccc3=C/C1=C/C=C\C=C\2
InChIInChI=1S/C16H12O/c17-16-11-13-6-2-1-3-8-14(16)10-12-7-4-5-9-15(12)13/h1-10H,11H2/b2-1-,3-1-,6-2+,8-3-,13-6+,14-8-
InChIKeyYWNYFWWJKFHOIS-RMDVMZJZSA-N
XLogP1.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[7.5.2.02,7]hexadeca-1,3,5,7,9,11,13-heptaen-16-one?
The IUPAC name of tricyclo[7.5.2.02,7]hexadeca-1,3,5,7,9,11,13-heptaen-16-one (CID 140988319) is tricyclo[7.5.2.02,7]hexadeca-1,3,5,7,9,11,13-heptaen-16-one.
What is the SMILES notation for tricyclo[7.5.2.02,7]hexadeca-1,3,5,7,9,11,13-heptaen-16-one?
The canonical SMILES for tricyclo[7.5.2.02,7]hexadeca-1,3,5,7,9,11,13-heptaen-16-one is O=C1CC2=c3ccccc3=C/C1=C/C=C\C=C\2.
What is the InChIKey of tricyclo[7.5.2.02,7]hexadeca-1,3,5,7,9,11,13-heptaen-16-one?
The InChIKey is YWNYFWWJKFHOIS-RMDVMZJZSA-N. The full InChI is InChI=1S/C16H12O/c17-16-11-13-6-2-1-3-8-14(16)10-12-7-4-5-9-15(12)13/h1-10H,11H2/b2-1-,3-1-,6-2+,8-3-,13-6+,14-8-.
What are the key properties of tricyclo[7.5.2.02,7]hexadeca-1,3,5,7,9,11,13-heptaen-16-one?
tricyclo[7.5.2.02,7]hexadeca-1,3,5,7,9,11,13-heptaen-16-one has a molecular weight of 220.27 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[7.5.2.02,7]hexadeca-1,3,5,7,9,11,13-heptaen-16-one is sourced from PubChem (CID 140988319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).