tetracyclo[8.6.1.02,7.014,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one

C17H10O — CID 87758879

IUPACtetracyclo[8.6.1.02,7.014,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one
SMILESO=C1C=c2cccc3c2=C1c1ccccc1C=C3
InChIInChI=1S/C17H10O/c18-15-10-13-6-3-5-12-9-8-11-4-1-2-7-14(11)17(15)16(12)13/h1-10H
InChIKeyCRCLTQGJYBQUKO-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.73
Rot. Bonds

About tetracyclo[8.6.1.02,7.014,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one

tetracyclo[8.6.1.02,7.014,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one (PubChem CID 87758879) has the molecular formula C17H10O and a molecular weight of 230.27 g/mol. Its IUPAC name is tetracyclo[8.6.1.02,7.014,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one.

Molecular Properties

Compound Nametetracyclo[8.6.1.02,7.014,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one
PubChem CID87758879
Molecular FormulaC17H10O
Molecular Weight230.27 g/mol
Exact Mass230.07
IUPAC Nametetracyclo[8.6.1.02,7.014,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one
SMILESO=C1C=c2cccc3c2=C1c1ccccc1C=C3
InChIInChI=1S/C17H10O/c18-15-10-13-6-3-5-12-9-8-11-4-1-2-7-14(11)17(15)16(12)13/h1-10H
InChIKeyCRCLTQGJYBQUKO-UHFFFAOYSA-N
XLogP1.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze tetracyclo[8.6.1.02,7.014,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetracyclo[8.6.1.02,7.014,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one?
The IUPAC name of tetracyclo[8.6.1.02,7.014,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one (CID 87758879) is tetracyclo[8.6.1.02,7.014,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one.
What is the SMILES notation for tetracyclo[8.6.1.02,7.014,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one?
The canonical SMILES for tetracyclo[8.6.1.02,7.014,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one is O=C1C=c2cccc3c2=C1c1ccccc1C=C3.
What is the InChIKey of tetracyclo[8.6.1.02,7.014,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one?
The InChIKey is CRCLTQGJYBQUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O/c18-15-10-13-6-3-5-12-9-8-11-4-1-2-7-14(11)17(15)16(12)13/h1-10H.
What are the key properties of tetracyclo[8.6.1.02,7.014,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one?
tetracyclo[8.6.1.02,7.014,17]heptadeca-1(17),2,4,6,8,10,12,14-octaen-16-one has a molecular weight of 230.27 g/mol, XLogP of 1.73, 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-1(17),2,4,6,8,10,12,14-octaen-16-one is sourced from PubChem (CID 87758879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).