tricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-4-one

C18H22O — CID 54315005

IUPACtricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-4-one
SMILESO=C1CCCCCCC2=CC(CC1)c1ccccc12
InChIInChI=1S/C18H22O/c19-16-8-4-2-1-3-7-14-13-15(11-12-16)18-10-6-5-9-17(14)18/h5-6,9-10,13,15H,1-4,7-8,11-12H2
InChIKeySNOBGKVZSXLJSB-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.87
Rot. Bonds

About tricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-4-one

tricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-4-one (PubChem CID 54315005) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is tricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-4-one.

Molecular Properties

Compound Nametricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-4-one
PubChem CID54315005
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Nametricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-4-one
SMILESO=C1CCCCCCC2=CC(CC1)c1ccccc12
InChIInChI=1S/C18H22O/c19-16-8-4-2-1-3-7-14-13-15(11-12-16)18-10-6-5-9-17(14)18/h5-6,9-10,13,15H,1-4,7-8,11-12H2
InChIKeySNOBGKVZSXLJSB-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-4-one?
The IUPAC name of tricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-4-one (CID 54315005) is tricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-4-one.
What is the SMILES notation for tricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-4-one?
The canonical SMILES for tricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-4-one is O=C1CCCCCCC2=CC(CC1)c1ccccc12.
What is the InChIKey of tricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-4-one?
The InChIKey is SNOBGKVZSXLJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c19-16-8-4-2-1-3-7-14-13-15(11-12-16)18-10-6-5-9-17(14)18/h5-6,9-10,13,15H,1-4,7-8,11-12H2.
What are the key properties of tricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-4-one?
tricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-4-one has a molecular weight of 254.37 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-4-one is sourced from PubChem (CID 54315005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).