9-methoxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione

C10H10O6 — CID 163939837

IUPAC9-methoxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione
SMILESCOC1OC(=O)C2C1CC1C(=O)OC(=O)C12
InChIInChI=1S/C10H10O6/c1-14-10-4-2-3-5(6(4)9(13)16-10)8(12)15-7(3)11/h3-6,10H,2H2,1H3
InChIKeyRQBDKIUWQHFJQD-UHFFFAOYSA-N
MW226.18 g/mol
LogP-0.53
Rot. Bonds1

About 9-methoxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione

9-methoxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione (PubChem CID 163939837) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is 9-methoxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione.

Molecular Properties

Compound Name9-methoxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione
PubChem CID163939837
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name9-methoxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione
SMILESCOC1OC(=O)C2C1CC1C(=O)OC(=O)C12
InChIInChI=1S/C10H10O6/c1-14-10-4-2-3-5(6(4)9(13)16-10)8(12)15-7(3)11/h3-6,10H,2H2,1H3
InChIKeyRQBDKIUWQHFJQD-UHFFFAOYSA-N
XLogP-0.53
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-methoxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione 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

1H-Cyclopenta[1,2-c:3,4-c']difuran-1,3,4,6(3aH)-tetrone, tetrahydro-
CID 110757
Hexahydro-1h-1,6-epoxycyclopenta[1,2-c:3,4-c']difuran-3,4-dione
CID 223841
(1R,4R,5S,7R,10S)-8-hydroxy-2,9-dioxatricyclo[5.2.1.04,10]decane-5-carboxylic acid
CID 10488240
ethyl (1S,3aR,6S,6aS)-1-methoxy-3-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-carboxylate
CID 25149470
(1R,2R,6R,8S,10R,14S)-5,7,9,11-tetraoxatetracyclo[6.6.0.0^{2,6}.0^{10,14}] tetradecan-4-one
CID 139200717
(4S,7S,10R)-4,6,6-trimethyl-2,12-dioxatetracyclo[5.5.1.04,13.010,13]tridecane-3,11-dione
CID 176421451
2,8,12-Trioxatetracyclo[7.2.1.04,11.06,10]dodecan-3-one
CID 15807395
(1R,2S,6S,8R)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone
CID 2723616
(1R,2R,6R,8R)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone
CID 54118277
cis-1,2,3,4-Cyclopentanetetracarboxylicdianhydride
CID 54118278
(1S,2S,6S,8S)-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone
CID 59550062
7-Methyl-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone
CID 89796278

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione?
The IUPAC name of 9-methoxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione (CID 163939837) is 9-methoxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione.
What is the SMILES notation for 9-methoxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione?
The canonical SMILES for 9-methoxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione is COC1OC(=O)C2C1CC1C(=O)OC(=O)C12.
What is the InChIKey of 9-methoxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione?
The InChIKey is RQBDKIUWQHFJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c1-14-10-4-2-3-5(6(4)9(13)16-10)8(12)15-7(3)11/h3-6,10H,2H2,1H3.
What are the key properties of 9-methoxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione?
9-methoxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione has a molecular weight of 226.18 g/mol, XLogP of -0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,11-trione is sourced from PubChem (CID 163939837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).