(5R)-5,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-8,16-dione

C22H26O2 — CID 59086393

IUPAC(5R)-5,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-8,16-dione
SMILESCC12CCC(=O)C=C1CCC1=C2CCC23C(=O)CC[C@]2(C)CC=C13
InChIInChI=1S/C22H26O2/c1-20-9-6-18-16-4-3-14-13-15(23)5-11-21(14,2)17(16)7-12-22(18,20)19(24)8-10-20/h6,13H,3-5,7-12H2,1-2H3/t20-,21?,22?/m0/s1
InChIKeyQWOYEUURJRKUDO-HWELCPFYSA-N
MW322.45 g/mol
LogP4.85
Rot. Bonds

About (5R)-5,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-8,16-dione

(5R)-5,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-8,16-dione (PubChem CID 59086393) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (5R)-5,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-8,16-dione.

Molecular Properties

Compound Name(5R)-5,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-8,16-dione
PubChem CID59086393
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name(5R)-5,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-8,16-dione
SMILESCC12CCC(=O)C=C1CCC1=C2CCC23C(=O)CC[C@]2(C)CC=C13
InChIInChI=1S/C22H26O2/c1-20-9-6-18-16-4-3-14-13-15(23)5-11-21(14,2)17(16)7-12-22(18,20)19(24)8-10-20/h6,13H,3-5,7-12H2,1-2H3/t20-,21?,22?/m0/s1
InChIKeyQWOYEUURJRKUDO-HWELCPFYSA-N
XLogP4.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-8,16-dione?
The IUPAC name of (5R)-5,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-8,16-dione (CID 59086393) is (5R)-5,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-8,16-dione.
What is the SMILES notation for (5R)-5,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-8,16-dione?
The canonical SMILES for (5R)-5,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-8,16-dione is CC12CCC(=O)C=C1CCC1=C2CCC23C(=O)CC[C@]2(C)CC=C13.
What is the InChIKey of (5R)-5,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-8,16-dione?
The InChIKey is QWOYEUURJRKUDO-HWELCPFYSA-N. The full InChI is InChI=1S/C22H26O2/c1-20-9-6-18-16-4-3-14-13-15(23)5-11-21(14,2)17(16)7-12-22(18,20)19(24)8-10-20/h6,13H,3-5,7-12H2,1-2H3/t20-,21?,22?/m0/s1.
What are the key properties of (5R)-5,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-8,16-dione?
(5R)-5,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-8,16-dione has a molecular weight of 322.45 g/mol, XLogP of 4.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5,13-dimethylpentacyclo[10.8.0.02,9.05,9.013,18]icosa-1(12),2,17-triene-8,16-dione is sourced from PubChem (CID 59086393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).