(6-acetyloxy-1,4,6,9-tetramethyl-5,10-dioxo-9-tricyclo[6.2.2.02,7]dodeca-3,11-dienyl) acetate

C20H24O6 — CID 5248293

IUPAC(6-acetyloxy-1,4,6,9-tetramethyl-5,10-dioxo-9-tricyclo[6.2.2.02,7]dodeca-3,11-dienyl) acetate
SMILESCC(=O)OC1(C)C(=O)C2(C)C=CC1C1C2C=C(C)C(=O)C1(C)OC(C)=O
InChIInChI=1S/C20H24O6/c1-10-9-14-15(20(6,16(10)23)26-12(3)22)13-7-8-18(14,4)17(24)19(13,5)25-11(2)21/h7-9,13-15H,1-6H3
InChIKeyXVPWMXFGGZGPMB-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.17
Rot. Bonds2

About (6-acetyloxy-1,4,6,9-tetramethyl-5,10-dioxo-9-tricyclo[6.2.2.02,7]dodeca-3,11-dienyl) acetate

(6-acetyloxy-1,4,6,9-tetramethyl-5,10-dioxo-9-tricyclo[6.2.2.02,7]dodeca-3,11-dienyl) acetate (PubChem CID 5248293) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is (6-acetyloxy-1,4,6,9-tetramethyl-5,10-dioxo-9-tricyclo[6.2.2.02,7]dodeca-3,11-dienyl) acetate.

Molecular Properties

Compound Name(6-acetyloxy-1,4,6,9-tetramethyl-5,10-dioxo-9-tricyclo[6.2.2.02,7]dodeca-3,11-dienyl) acetate
PubChem CID5248293
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name(6-acetyloxy-1,4,6,9-tetramethyl-5,10-dioxo-9-tricyclo[6.2.2.02,7]dodeca-3,11-dienyl) acetate
SMILESCC(=O)OC1(C)C(=O)C2(C)C=CC1C1C2C=C(C)C(=O)C1(C)OC(C)=O
InChIInChI=1S/C20H24O6/c1-10-9-14-15(20(6,16(10)23)26-12(3)22)13-7-8-18(14,4)17(24)19(13,5)25-11(2)21/h7-9,13-15H,1-6H3
InChIKeyXVPWMXFGGZGPMB-UHFFFAOYSA-N
XLogP2.17
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (6-acetyloxy-1,4,6,9-tetramethyl-5,10-dioxo-9-tricyclo[6.2.2.02,7]dodeca-3,11-dienyl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S,3R,7S,8S,10S)-3,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione
CID 98405885
(1S,2S,3R,7R,8R,10R)-3,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione
CID 16753193
(1R,2R,7R,8R,10R)-4,10-dihydroxy-3,5,8,10-tetramethyltricyclo[6.2.2.02,7]dodeca-3,5,11-trien-9-one
CID 124807724
(6-hydroxy-1,2-dimethylcyclohexa-2,4-dien-1-yl) acetate
CID 174521140
[(1R,2S,4S,7S,9R,10E,13R,15S,16S)-13-acetyloxy-4,8,8,11,15-pentamethyl-12-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-16-yl] pyridine-3-carboxylate
CID 163186732
[(1R,2R,4S,7S,9R,10E,13R,15S,16S)-13-acetyloxy-4,8,8,11,15-pentamethyl-12-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-16-yl] pyridine-3-carboxylate
CID 164613769
3',3',5',8',10',10'-hexamethylspiro[cyclobutane-2,4'-tricyclo[6.2.2.02,7]dodeca-5,11-diene]-1,9'-dione
CID 584253
[(1R,2R,4R,7S,9R,10E,13R,15R,16S)-16-acetyloxy-4,8,8,11,15-pentamethyl-12-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-13-yl] benzoate
CID 163035949
[(1S,2S,6S,8S,9S)-3',3',9-trimethyl-5,6',10-trioxospiro[4-oxatricyclo[6.2.2.01,6]dodec-11-ene-2,5'-cyclohexene]-9-yl] acetate
CID 139038450
[(1S)-1-methyl-6-oxocyclohexa-2,4-dien-1-yl] acetate;[(1R)-1-methyl-6-oxocyclohexa-2,4-dien-1-yl] acetate
CID 139122662
[(8R,9S,10R,13S,14S,17S)-17-acetyl-6,10,13-trimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl] acetate
CID 22983890
[(8S,9R,10R,13R,14S,16R)-16-acetyl-10,13-dimethyl-3-oxo-9,11,12,14,15,17-hexahydro-8H-cyclopenta[a]phenanthren-16-yl] acetate
CID 11921134

Frequently Asked Questions

What is the IUPAC name of (6-acetyloxy-1,4,6,9-tetramethyl-5,10-dioxo-9-tricyclo[6.2.2.02,7]dodeca-3,11-dienyl) acetate?
The IUPAC name of (6-acetyloxy-1,4,6,9-tetramethyl-5,10-dioxo-9-tricyclo[6.2.2.02,7]dodeca-3,11-dienyl) acetate (CID 5248293) is (6-acetyloxy-1,4,6,9-tetramethyl-5,10-dioxo-9-tricyclo[6.2.2.02,7]dodeca-3,11-dienyl) acetate.
What is the SMILES notation for (6-acetyloxy-1,4,6,9-tetramethyl-5,10-dioxo-9-tricyclo[6.2.2.02,7]dodeca-3,11-dienyl) acetate?
The canonical SMILES for (6-acetyloxy-1,4,6,9-tetramethyl-5,10-dioxo-9-tricyclo[6.2.2.02,7]dodeca-3,11-dienyl) acetate is CC(=O)OC1(C)C(=O)C2(C)C=CC1C1C2C=C(C)C(=O)C1(C)OC(C)=O.
What is the InChIKey of (6-acetyloxy-1,4,6,9-tetramethyl-5,10-dioxo-9-tricyclo[6.2.2.02,7]dodeca-3,11-dienyl) acetate?
The InChIKey is XVPWMXFGGZGPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O6/c1-10-9-14-15(20(6,16(10)23)26-12(3)22)13-7-8-18(14,4)17(24)19(13,5)25-11(2)21/h7-9,13-15H,1-6H3.
What are the key properties of (6-acetyloxy-1,4,6,9-tetramethyl-5,10-dioxo-9-tricyclo[6.2.2.02,7]dodeca-3,11-dienyl) acetate?
(6-acetyloxy-1,4,6,9-tetramethyl-5,10-dioxo-9-tricyclo[6.2.2.02,7]dodeca-3,11-dienyl) acetate has a molecular weight of 360.41 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-acetyloxy-1,4,6,9-tetramethyl-5,10-dioxo-9-tricyclo[6.2.2.02,7]dodeca-3,11-dienyl) acetate is sourced from PubChem (CID 5248293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).