(9R,12R,15R)-2,9,12,15-tetramethylicosa-2,19-diene-4,7,10,13-tetrone

C24H38O4 — CID 162926751

IUPAC(9R,12R,15R)-2,9,12,15-tetramethylicosa-2,19-diene-4,7,10,13-tetrone
SMILESC=CCCC[C@@H](C)CC(=O)[C@H](C)CC(=O)[C@H](C)CC(=O)CCC(=O)C=C(C)C
InChIInChI=1S/C24H38O4/c1-7-8-9-10-18(4)14-23(27)20(6)16-24(28)19(5)15-22(26)12-11-21(25)13-17(2)3/h7,13,18-20H,1,8-12,14-16H2,2-6H3/t18-,19-,20-/m1/s1
InChIKeyVDQWQEZDNGORHV-VAMGGRTRSA-N
MW390.56 g/mol
LogP5.44
Rot. Bonds16

About (9R,12R,15R)-2,9,12,15-tetramethylicosa-2,19-diene-4,7,10,13-tetrone

(9R,12R,15R)-2,9,12,15-tetramethylicosa-2,19-diene-4,7,10,13-tetrone (PubChem CID 162926751) has the molecular formula C24H38O4 and a molecular weight of 390.56 g/mol. Its IUPAC name is (9R,12R,15R)-2,9,12,15-tetramethylicosa-2,19-diene-4,7,10,13-tetrone.

Molecular Properties

Compound Name(9R,12R,15R)-2,9,12,15-tetramethylicosa-2,19-diene-4,7,10,13-tetrone
PubChem CID162926751
Molecular FormulaC24H38O4
Molecular Weight390.56 g/mol
Exact Mass390.28
IUPAC Name(9R,12R,15R)-2,9,12,15-tetramethylicosa-2,19-diene-4,7,10,13-tetrone
SMILESC=CCCC[C@@H](C)CC(=O)[C@H](C)CC(=O)[C@H](C)CC(=O)CCC(=O)C=C(C)C
InChIInChI=1S/C24H38O4/c1-7-8-9-10-18(4)14-23(27)20(6)16-24(28)19(5)15-22(26)12-11-21(25)13-17(2)3/h7,13,18-20H,1,8-12,14-16H2,2-6H3/t18-,19-,20-/m1/s1
InChIKeyVDQWQEZDNGORHV-VAMGGRTRSA-N
XLogP5.44
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (9R,12R,15R)-2,9,12,15-tetramethylicosa-2,19-diene-4,7,10,13-tetrone 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 (9R,12R,15R)-2,9,12,15-tetramethylicosa-2,19-diene-4,7,10,13-tetrone?
The IUPAC name of (9R,12R,15R)-2,9,12,15-tetramethylicosa-2,19-diene-4,7,10,13-tetrone (CID 162926751) is (9R,12R,15R)-2,9,12,15-tetramethylicosa-2,19-diene-4,7,10,13-tetrone.
What is the SMILES notation for (9R,12R,15R)-2,9,12,15-tetramethylicosa-2,19-diene-4,7,10,13-tetrone?
The canonical SMILES for (9R,12R,15R)-2,9,12,15-tetramethylicosa-2,19-diene-4,7,10,13-tetrone is C=CCCC[C@@H](C)CC(=O)[C@H](C)CC(=O)[C@H](C)CC(=O)CCC(=O)C=C(C)C.
What is the InChIKey of (9R,12R,15R)-2,9,12,15-tetramethylicosa-2,19-diene-4,7,10,13-tetrone?
The InChIKey is VDQWQEZDNGORHV-VAMGGRTRSA-N. The full InChI is InChI=1S/C24H38O4/c1-7-8-9-10-18(4)14-23(27)20(6)16-24(28)19(5)15-22(26)12-11-21(25)13-17(2)3/h7,13,18-20H,1,8-12,14-16H2,2-6H3/t18-,19-,20-/m1/s1.
What are the key properties of (9R,12R,15R)-2,9,12,15-tetramethylicosa-2,19-diene-4,7,10,13-tetrone?
(9R,12R,15R)-2,9,12,15-tetramethylicosa-2,19-diene-4,7,10,13-tetrone has a molecular weight of 390.56 g/mol, XLogP of 5.44, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,12R,15R)-2,9,12,15-tetramethylicosa-2,19-diene-4,7,10,13-tetrone is sourced from PubChem (CID 162926751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).