pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,6,8,11,13(18),14,16-octaene-4,5-dione

C18H8O2 — CID 10848652

IUPACpentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,6,8,11,13(18),14,16-octaene-4,5-dione
SMILESO=C1C=c2ccc3ccc4cccc5c4c3c2=C5C1=O
InChIInChI=1S/C18H8O2/c19-13-8-11-7-6-10-5-4-9-2-1-3-12-14(9)15(10)16(11)17(12)18(13)20/h1-8H
InChIKeyQRCZSGHOUXSNED-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.44
Rot. Bonds

About pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,6,8,11,13(18),14,16-octaene-4,5-dione

pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,6,8,11,13(18),14,16-octaene-4,5-dione (PubChem CID 10848652) has the molecular formula C18H8O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,6,8,11,13(18),14,16-octaene-4,5-dione.

Molecular Properties

Compound Namepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,6,8,11,13(18),14,16-octaene-4,5-dione
PubChem CID10848652
Molecular FormulaC18H8O2
Molecular Weight256.26 g/mol
Exact Mass256.05
IUPAC Namepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,6,8,11,13(18),14,16-octaene-4,5-dione
SMILESO=C1C=c2ccc3ccc4cccc5c4c3c2=C5C1=O
InChIInChI=1S/C18H8O2/c19-13-8-11-7-6-10-5-4-9-2-1-3-12-14(9)15(10)16(11)17(12)18(13)20/h1-8H
InChIKeyQRCZSGHOUXSNED-UHFFFAOYSA-N
XLogP1.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,6,8,11,13(18),14,16-octaene-4,5-dione?
The IUPAC name of pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,6,8,11,13(18),14,16-octaene-4,5-dione (CID 10848652) is pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,6,8,11,13(18),14,16-octaene-4,5-dione.
What is the SMILES notation for pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,6,8,11,13(18),14,16-octaene-4,5-dione?
The canonical SMILES for pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,6,8,11,13(18),14,16-octaene-4,5-dione is O=C1C=c2ccc3ccc4cccc5c4c3c2=C5C1=O.
What is the InChIKey of pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,6,8,11,13(18),14,16-octaene-4,5-dione?
The InChIKey is QRCZSGHOUXSNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8O2/c19-13-8-11-7-6-10-5-4-9-2-1-3-12-14(9)15(10)16(11)17(12)18(13)20/h1-8H.
What are the key properties of pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,6,8,11,13(18),14,16-octaene-4,5-dione?
pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,6,8,11,13(18),14,16-octaene-4,5-dione has a molecular weight of 256.26 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,6,8,11,13(18),14,16-octaene-4,5-dione is sourced from PubChem (CID 10848652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).