tetracyclo[8.7.0.02,6.012,17]heptadeca-1,7,12,14,16-pentaen-11-one

C17H16O — CID 14899682

IUPACtetracyclo[8.7.0.02,6.012,17]heptadeca-1,7,12,14,16-pentaen-11-one
SMILESO=C1c2ccccc2C2=C3CCCC3C=CCC12
InChIInChI=1S/C17H16O/c18-17-14-8-2-1-7-13(14)16-12-9-3-5-11(12)6-4-10-15(16)17/h1-2,4,6-8,11,15H,3,5,9-10H2
InChIKeyQXPBHXLJZPGCIH-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.01
Rot. Bonds

About tetracyclo[8.7.0.02,6.012,17]heptadeca-1,7,12,14,16-pentaen-11-one

tetracyclo[8.7.0.02,6.012,17]heptadeca-1,7,12,14,16-pentaen-11-one (PubChem CID 14899682) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is tetracyclo[8.7.0.02,6.012,17]heptadeca-1,7,12,14,16-pentaen-11-one.

Molecular Properties

Compound Nametetracyclo[8.7.0.02,6.012,17]heptadeca-1,7,12,14,16-pentaen-11-one
PubChem CID14899682
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Nametetracyclo[8.7.0.02,6.012,17]heptadeca-1,7,12,14,16-pentaen-11-one
SMILESO=C1c2ccccc2C2=C3CCCC3C=CCC12
InChIInChI=1S/C17H16O/c18-17-14-8-2-1-7-13(14)16-12-9-3-5-11(12)6-4-10-15(16)17/h1-2,4,6-8,11,15H,3,5,9-10H2
InChIKeyQXPBHXLJZPGCIH-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[8.7.0.02,6.012,17]heptadeca-1,7,12,14,16-pentaen-11-one?
The IUPAC name of tetracyclo[8.7.0.02,6.012,17]heptadeca-1,7,12,14,16-pentaen-11-one (CID 14899682) is tetracyclo[8.7.0.02,6.012,17]heptadeca-1,7,12,14,16-pentaen-11-one.
What is the SMILES notation for tetracyclo[8.7.0.02,6.012,17]heptadeca-1,7,12,14,16-pentaen-11-one?
The canonical SMILES for tetracyclo[8.7.0.02,6.012,17]heptadeca-1,7,12,14,16-pentaen-11-one is O=C1c2ccccc2C2=C3CCCC3C=CCC12.
What is the InChIKey of tetracyclo[8.7.0.02,6.012,17]heptadeca-1,7,12,14,16-pentaen-11-one?
The InChIKey is QXPBHXLJZPGCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c18-17-14-8-2-1-7-13(14)16-12-9-3-5-11(12)6-4-10-15(16)17/h1-2,4,6-8,11,15H,3,5,9-10H2.
What are the key properties of tetracyclo[8.7.0.02,6.012,17]heptadeca-1,7,12,14,16-pentaen-11-one?
tetracyclo[8.7.0.02,6.012,17]heptadeca-1,7,12,14,16-pentaen-11-one has a molecular weight of 236.31 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[8.7.0.02,6.012,17]heptadeca-1,7,12,14,16-pentaen-11-one is sourced from PubChem (CID 14899682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).