(2R,11R)-tricyclo[9.4.0.02,7]pentadeca-4,8,13-triene-3,15-dione

C15H16O2 — CID 138606682

IUPAC(2R,11R)-tricyclo[9.4.0.02,7]pentadeca-4,8,13-triene-3,15-dione
SMILESO=C1C=CC[C@H]2CC=CC3CC=CC(=O)[C@H]3C12
InChIInChI=1S/C15H16O2/c16-12-8-2-6-10-4-1-5-11-7-3-9-13(17)15(11)14(10)12/h1-4,8-11,14-15H,5-7H2/t10?,11-,14+,15?/m1/s1
InChIKeyTWHHUCVICSSUMP-ZISVTKSWSA-N
MW228.29 g/mol
LogP2.47
Rot. Bonds

About (2R,11R)-tricyclo[9.4.0.02,7]pentadeca-4,8,13-triene-3,15-dione

(2R,11R)-tricyclo[9.4.0.02,7]pentadeca-4,8,13-triene-3,15-dione (PubChem CID 138606682) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R,11R)-tricyclo[9.4.0.02,7]pentadeca-4,8,13-triene-3,15-dione.

Molecular Properties

Compound Name(2R,11R)-tricyclo[9.4.0.02,7]pentadeca-4,8,13-triene-3,15-dione
PubChem CID138606682
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(2R,11R)-tricyclo[9.4.0.02,7]pentadeca-4,8,13-triene-3,15-dione
SMILESO=C1C=CC[C@H]2CC=CC3CC=CC(=O)[C@H]3C12
InChIInChI=1S/C15H16O2/c16-12-8-2-6-10-4-1-5-11-7-3-9-13(17)15(11)14(10)12/h1-4,8-11,14-15H,5-7H2/t10?,11-,14+,15?/m1/s1
InChIKeyTWHHUCVICSSUMP-ZISVTKSWSA-N
XLogP2.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2R,11R)-tricyclo[9.4.0.02,7]pentadeca-4,8,13-triene-3,15-dione?
The IUPAC name of (2R,11R)-tricyclo[9.4.0.02,7]pentadeca-4,8,13-triene-3,15-dione (CID 138606682) is (2R,11R)-tricyclo[9.4.0.02,7]pentadeca-4,8,13-triene-3,15-dione.
What is the SMILES notation for (2R,11R)-tricyclo[9.4.0.02,7]pentadeca-4,8,13-triene-3,15-dione?
The canonical SMILES for (2R,11R)-tricyclo[9.4.0.02,7]pentadeca-4,8,13-triene-3,15-dione is O=C1C=CC[C@H]2CC=CC3CC=CC(=O)[C@H]3C12.
What is the InChIKey of (2R,11R)-tricyclo[9.4.0.02,7]pentadeca-4,8,13-triene-3,15-dione?
The InChIKey is TWHHUCVICSSUMP-ZISVTKSWSA-N. The full InChI is InChI=1S/C15H16O2/c16-12-8-2-6-10-4-1-5-11-7-3-9-13(17)15(11)14(10)12/h1-4,8-11,14-15H,5-7H2/t10?,11-,14+,15?/m1/s1.
What are the key properties of (2R,11R)-tricyclo[9.4.0.02,7]pentadeca-4,8,13-triene-3,15-dione?
(2R,11R)-tricyclo[9.4.0.02,7]pentadeca-4,8,13-triene-3,15-dione has a molecular weight of 228.29 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,11R)-tricyclo[9.4.0.02,7]pentadeca-4,8,13-triene-3,15-dione is sourced from PubChem (CID 138606682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).