tetracyclo[8.7.1.02,8.014,18]octadeca-1(17),2,4,7,10,12,14(18),15-octaen-9-one

C18H12O — CID 142848395

IUPACtetracyclo[8.7.1.02,8.014,18]octadeca-1(17),2,4,7,10,12,14(18),15-octaen-9-one
SMILESO=C1C2=CCC=CC=C2c2cccc3cccc1c23
InChIInChI=1S/C18H12O/c19-18-15-9-3-1-2-8-13(15)14-10-4-6-12-7-5-11-16(18)17(12)14/h1-2,4-11H,3H2
InChIKeyVKRLLKZOSBUGJP-UHFFFAOYSA-N
MW244.29 g/mol
LogP4.31
Rot. Bonds

About tetracyclo[8.7.1.02,8.014,18]octadeca-1(17),2,4,7,10,12,14(18),15-octaen-9-one

tetracyclo[8.7.1.02,8.014,18]octadeca-1(17),2,4,7,10,12,14(18),15-octaen-9-one (PubChem CID 142848395) has the molecular formula C18H12O and a molecular weight of 244.29 g/mol. Its IUPAC name is tetracyclo[8.7.1.02,8.014,18]octadeca-1(17),2,4,7,10,12,14(18),15-octaen-9-one.

Molecular Properties

Compound Nametetracyclo[8.7.1.02,8.014,18]octadeca-1(17),2,4,7,10,12,14(18),15-octaen-9-one
PubChem CID142848395
Molecular FormulaC18H12O
Molecular Weight244.29 g/mol
Exact Mass244.09
IUPAC Nametetracyclo[8.7.1.02,8.014,18]octadeca-1(17),2,4,7,10,12,14(18),15-octaen-9-one
SMILESO=C1C2=CCC=CC=C2c2cccc3cccc1c23
InChIInChI=1S/C18H12O/c19-18-15-9-3-1-2-8-13(15)14-10-4-6-12-7-5-11-16(18)17(12)14/h1-2,4-11H,3H2
InChIKeyVKRLLKZOSBUGJP-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze tetracyclo[8.7.1.02,8.014,18]octadeca-1(17),2,4,7,10,12,14(18),15-octaen-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[8.7.1.02,8.014,18]octadeca-1(17),2,4,7,10,12,14(18),15-octaen-9-one?
The IUPAC name of tetracyclo[8.7.1.02,8.014,18]octadeca-1(17),2,4,7,10,12,14(18),15-octaen-9-one (CID 142848395) is tetracyclo[8.7.1.02,8.014,18]octadeca-1(17),2,4,7,10,12,14(18),15-octaen-9-one.
What is the SMILES notation for tetracyclo[8.7.1.02,8.014,18]octadeca-1(17),2,4,7,10,12,14(18),15-octaen-9-one?
The canonical SMILES for tetracyclo[8.7.1.02,8.014,18]octadeca-1(17),2,4,7,10,12,14(18),15-octaen-9-one is O=C1C2=CCC=CC=C2c2cccc3cccc1c23.
What is the InChIKey of tetracyclo[8.7.1.02,8.014,18]octadeca-1(17),2,4,7,10,12,14(18),15-octaen-9-one?
The InChIKey is VKRLLKZOSBUGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O/c19-18-15-9-3-1-2-8-13(15)14-10-4-6-12-7-5-11-16(18)17(12)14/h1-2,4-11H,3H2.
What are the key properties of tetracyclo[8.7.1.02,8.014,18]octadeca-1(17),2,4,7,10,12,14(18),15-octaen-9-one?
tetracyclo[8.7.1.02,8.014,18]octadeca-1(17),2,4,7,10,12,14(18),15-octaen-9-one has a molecular weight of 244.29 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[8.7.1.02,8.014,18]octadeca-1(17),2,4,7,10,12,14(18),15-octaen-9-one is sourced from PubChem (CID 142848395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).