tricyclo[9.4.1.03,9]hexadeca-1(15),2,4,7,9,11,13-heptaen-6-one

C16H12O — CID 101225290

IUPACtricyclo[9.4.1.03,9]hexadeca-1(15),2,4,7,9,11,13-heptaen-6-one
SMILESO=c1ccc2c(cc1)=CC1=CC=CC=C(C=2)C1
InChIInChI=1S/C16H12O/c17-16-7-5-14-10-12-3-1-2-4-13(9-12)11-15(14)6-8-16/h1-8,10-11H,9H2
InChIKeyWHNHTOFAVIGMOK-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.43
Rot. Bonds

About tricyclo[9.4.1.03,9]hexadeca-1(15),2,4,7,9,11,13-heptaen-6-one

tricyclo[9.4.1.03,9]hexadeca-1(15),2,4,7,9,11,13-heptaen-6-one (PubChem CID 101225290) has the molecular formula C16H12O and a molecular weight of 220.27 g/mol. Its IUPAC name is tricyclo[9.4.1.03,9]hexadeca-1(15),2,4,7,9,11,13-heptaen-6-one.

Molecular Properties

Compound Nametricyclo[9.4.1.03,9]hexadeca-1(15),2,4,7,9,11,13-heptaen-6-one
PubChem CID101225290
Molecular FormulaC16H12O
Molecular Weight220.27 g/mol
Exact Mass220.09
IUPAC Nametricyclo[9.4.1.03,9]hexadeca-1(15),2,4,7,9,11,13-heptaen-6-one
SMILESO=c1ccc2c(cc1)=CC1=CC=CC=C(C=2)C1
InChIInChI=1S/C16H12O/c17-16-7-5-14-10-12-3-1-2-4-13(9-12)11-15(14)6-8-16/h1-8,10-11H,9H2
InChIKeyWHNHTOFAVIGMOK-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[9.4.1.03,9]hexadeca-1(15),2,4,7,9,11,13-heptaen-6-one?
The IUPAC name of tricyclo[9.4.1.03,9]hexadeca-1(15),2,4,7,9,11,13-heptaen-6-one (CID 101225290) is tricyclo[9.4.1.03,9]hexadeca-1(15),2,4,7,9,11,13-heptaen-6-one.
What is the SMILES notation for tricyclo[9.4.1.03,9]hexadeca-1(15),2,4,7,9,11,13-heptaen-6-one?
The canonical SMILES for tricyclo[9.4.1.03,9]hexadeca-1(15),2,4,7,9,11,13-heptaen-6-one is O=c1ccc2c(cc1)=CC1=CC=CC=C(C=2)C1.
What is the InChIKey of tricyclo[9.4.1.03,9]hexadeca-1(15),2,4,7,9,11,13-heptaen-6-one?
The InChIKey is WHNHTOFAVIGMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O/c17-16-7-5-14-10-12-3-1-2-4-13(9-12)11-15(14)6-8-16/h1-8,10-11H,9H2.
What are the key properties of tricyclo[9.4.1.03,9]hexadeca-1(15),2,4,7,9,11,13-heptaen-6-one?
tricyclo[9.4.1.03,9]hexadeca-1(15),2,4,7,9,11,13-heptaen-6-one has a molecular weight of 220.27 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[9.4.1.03,9]hexadeca-1(15),2,4,7,9,11,13-heptaen-6-one is sourced from PubChem (CID 101225290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).