tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one

C15H12O — CID 14589

IUPACtricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
SMILESO=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8H,9-10H2
InChIKeyBMVWCPGVLSILMU-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.02
Rot. Bonds

About tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one

tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one (PubChem CID 14589) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one.

Molecular Properties

Compound Nametricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
PubChem CID14589
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Nametricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
SMILESO=C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8H,9-10H2
InChIKeyBMVWCPGVLSILMU-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one?
The IUPAC name of tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one (CID 14589) is tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one.
What is the SMILES notation for tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one?
The canonical SMILES for tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one is O=C1c2ccccc2CCc2ccccc21.
What is the InChIKey of tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one?
The InChIKey is BMVWCPGVLSILMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8H,9-10H2.
What are the key properties of tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one?
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one has a molecular weight of 208.26 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one is sourced from PubChem (CID 14589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).