8-methyl-9-(4-methyl-2,5-dioxooxolan-3-yl)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione

C15H16O6 — CID 21356932

IUPAC8-methyl-9-(4-methyl-2,5-dioxooxolan-3-yl)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCC1C(=O)OC(=O)C1C1C(C)C2CC1C1C(=O)OC(=O)C21
InChIInChI=1S/C15H16O6/c1-4-6-3-7(11-10(6)14(18)21-15(11)19)8(4)9-5(2)12(16)20-13(9)17/h4-11H,3H2,1-2H3
InChIKeyRQMIYZZFMRBLNS-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.54
Rot. Bonds1

About 8-methyl-9-(4-methyl-2,5-dioxooxolan-3-yl)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione

8-methyl-9-(4-methyl-2,5-dioxooxolan-3-yl)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 21356932) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is 8-methyl-9-(4-methyl-2,5-dioxooxolan-3-yl)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name8-methyl-9-(4-methyl-2,5-dioxooxolan-3-yl)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID21356932
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Name8-methyl-9-(4-methyl-2,5-dioxooxolan-3-yl)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCC1C(=O)OC(=O)C1C1C(C)C2CC1C1C(=O)OC(=O)C21
InChIInChI=1S/C15H16O6/c1-4-6-3-7(11-10(6)14(18)21-15(11)19)8(4)9-5(2)12(16)20-13(9)17/h4-11H,3H2,1-2H3
InChIKeyRQMIYZZFMRBLNS-UHFFFAOYSA-N
XLogP0.54
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

cis-3,6-Endomethylene tetrahydrophthalic anhydride
CID 10931793
Hexahydro-3,6-methanophthalic anhydride
CID 96196
2,3-Norbornanedicarboxylic acid anhydride, exo-
CID 10535053
4'-Oxaspiro[cyclopropane-1,10'-tricyclo[5.2.1.0,2,6]decane]-3',5'-dione
CID 58580309
2-Methyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 4231775
4,7-dimethyltetrahydro-4,7-methano-2-benzofuran-1,3,5(4H)-trione
CID 565011
hexahydro-4,7-methano-iso-benzofuran-1(3H)-one
CID 4518867
Tetrahydro-4,7-methano-2-benzofuran-1,3,5(4h)-trione
CID 274448
Methanol;4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 159881955
(1R,2R,6S,7S)-10-trimethylsilyl-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 24767476
(1S,2S,5S,6R,7R)-5-ethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 101370439
(1S,2S,5R,6R,7R)-5-ethyl-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 101370440

Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-(4-methyl-2,5-dioxooxolan-3-yl)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of 8-methyl-9-(4-methyl-2,5-dioxooxolan-3-yl)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione (CID 21356932) is 8-methyl-9-(4-methyl-2,5-dioxooxolan-3-yl)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for 8-methyl-9-(4-methyl-2,5-dioxooxolan-3-yl)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for 8-methyl-9-(4-methyl-2,5-dioxooxolan-3-yl)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione is CC1C(=O)OC(=O)C1C1C(C)C2CC1C1C(=O)OC(=O)C21.
What is the InChIKey of 8-methyl-9-(4-methyl-2,5-dioxooxolan-3-yl)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is RQMIYZZFMRBLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O6/c1-4-6-3-7(11-10(6)14(18)21-15(11)19)8(4)9-5(2)12(16)20-13(9)17/h4-11H,3H2,1-2H3.
What are the key properties of 8-methyl-9-(4-methyl-2,5-dioxooxolan-3-yl)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione?
8-methyl-9-(4-methyl-2,5-dioxooxolan-3-yl)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 292.29 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9-(4-methyl-2,5-dioxooxolan-3-yl)-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 21356932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).