(5R,9R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,17-triene-8,16-dione

C23H26O2 — CID 59086354

IUPAC(5R,9R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,17-triene-8,16-dione
SMILESCC12CCC(=O)C=C1C1CC1C1=C2CC[C@@]23C(=O)CC[C@]2(C)CC=C13
InChIInChI=1S/C23H26O2/c1-21-7-4-17-20-15-12-14(15)18-11-13(24)3-9-22(18,2)16(20)5-10-23(17,21)19(25)6-8-21/h4,11,14-15H,3,5-10,12H2,1-2H3/t14?,15?,21-,22?,23+/m0/s1
InChIKeyGJXRDBZNOREUBX-RJCWLEHASA-N
MW334.46 g/mol
LogP4.71
Rot. Bonds

About (5R,9R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,17-triene-8,16-dione

(5R,9R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,17-triene-8,16-dione (PubChem CID 59086354) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (5R,9R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,17-triene-8,16-dione.

Molecular Properties

Compound Name(5R,9R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,17-triene-8,16-dione
PubChem CID59086354
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Name(5R,9R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,17-triene-8,16-dione
SMILESCC12CCC(=O)C=C1C1CC1C1=C2CC[C@@]23C(=O)CC[C@]2(C)CC=C13
InChIInChI=1S/C23H26O2/c1-21-7-4-17-20-15-12-14(15)18-11-13(24)3-9-22(18,2)16(20)5-10-23(17,21)19(25)6-8-21/h4,11,14-15H,3,5-10,12H2,1-2H3/t14?,15?,21-,22?,23+/m0/s1
InChIKeyGJXRDBZNOREUBX-RJCWLEHASA-N
XLogP4.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5R,9R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,17-triene-8,16-dione 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 (5R,9R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,17-triene-8,16-dione?
The IUPAC name of (5R,9R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,17-triene-8,16-dione (CID 59086354) is (5R,9R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,17-triene-8,16-dione.
What is the SMILES notation for (5R,9R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,17-triene-8,16-dione?
The canonical SMILES for (5R,9R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,17-triene-8,16-dione is CC12CCC(=O)C=C1C1CC1C1=C2CC[C@@]23C(=O)CC[C@]2(C)CC=C13.
What is the InChIKey of (5R,9R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,17-triene-8,16-dione?
The InChIKey is GJXRDBZNOREUBX-RJCWLEHASA-N. The full InChI is InChI=1S/C23H26O2/c1-21-7-4-17-20-15-12-14(15)18-11-13(24)3-9-22(18,2)16(20)5-10-23(17,21)19(25)6-8-21/h4,11,14-15H,3,5-10,12H2,1-2H3/t14?,15?,21-,22?,23+/m0/s1.
What are the key properties of (5R,9R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,17-triene-8,16-dione?
(5R,9R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,17-triene-8,16-dione has a molecular weight of 334.46 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-5,13-dimethylhexacyclo[10.9.0.02,9.05,9.013,18.019,21]henicosa-1(12),2,17-triene-8,16-dione is sourced from PubChem (CID 59086354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).