(1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione

C16H16O2 — CID 98557806

IUPAC(1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione
SMILESO=C1[C@@H]2CC[C@@H](C2)C(=O)[C@@H]2C[C@@H]1c1ccccc12
InChIInChI=1S/C16H16O2/c17-15-9-5-6-10(7-9)16(18)14-8-13(15)11-3-1-2-4-12(11)14/h1-4,9-10,13-14H,5-8H2/t9-,10+,13-,14-/m1/s1
InChIKeyYRSJNRIOPYFJRB-RDBQEKCUSA-N
MW240.30 g/mol
LogP2.83
Rot. Bonds

About (1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione

(1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione (PubChem CID 98557806) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione.

Molecular Properties

Compound Name(1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione
PubChem CID98557806
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione
SMILESO=C1[C@@H]2CC[C@@H](C2)C(=O)[C@@H]2C[C@@H]1c1ccccc12
InChIInChI=1S/C16H16O2/c17-15-9-5-6-10(7-9)16(18)14-8-13(15)11-3-1-2-4-12(11)14/h1-4,9-10,13-14H,5-8H2/t9-,10+,13-,14-/m1/s1
InChIKeyYRSJNRIOPYFJRB-RDBQEKCUSA-N
XLogP2.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione?
The IUPAC name of (1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione (CID 98557806) is (1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione.
What is the SMILES notation for (1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione?
The canonical SMILES for (1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione is O=C1[C@@H]2CC[C@@H](C2)C(=O)[C@@H]2C[C@@H]1c1ccccc12.
What is the InChIKey of (1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione?
The InChIKey is YRSJNRIOPYFJRB-RDBQEKCUSA-N. The full InChI is InChI=1S/C16H16O2/c17-15-9-5-6-10(7-9)16(18)14-8-13(15)11-3-1-2-4-12(11)14/h1-4,9-10,13-14H,5-8H2/t9-,10+,13-,14-/m1/s1.
What are the key properties of (1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione?
(1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione has a molecular weight of 240.30 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione is sourced from PubChem (CID 98557806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).