tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-one

C17H14O — CID 12669081

IUPACtetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-one
SMILESO=C1CC2c3ccccc3CCc3cccc1c32
InChIInChI=1S/C17H14O/c18-16-10-15-13-6-2-1-4-11(13)8-9-12-5-3-7-14(16)17(12)15/h1-7,15H,8-10H2
InChIKeyPSJLMQREUDXANK-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.50
Rot. Bonds

About tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-one

tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-one (PubChem CID 12669081) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-one.

Molecular Properties

Compound Nametetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-one
PubChem CID12669081
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Nametetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-one
SMILESO=C1CC2c3ccccc3CCc3cccc1c32
InChIInChI=1S/C17H14O/c18-16-10-15-13-6-2-1-4-11(13)8-9-12-5-3-7-14(16)17(12)15/h1-7,15H,8-10H2
InChIKeyPSJLMQREUDXANK-UHFFFAOYSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-one?
The IUPAC name of tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-one (CID 12669081) is tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-one.
What is the SMILES notation for tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-one?
The canonical SMILES for tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-one is O=C1CC2c3ccccc3CCc3cccc1c32.
What is the InChIKey of tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-one?
The InChIKey is PSJLMQREUDXANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c18-16-10-15-13-6-2-1-4-11(13)8-9-12-5-3-7-14(16)17(12)15/h1-7,15H,8-10H2.
What are the key properties of tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-one?
tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-one has a molecular weight of 234.30 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13-hexaen-15-one is sourced from PubChem (CID 12669081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).