8,10-dimethoxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5-dione

C10H12O6 — CID 91732284

IUPAC8,10-dimethoxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5-dione
SMILESCOC1OC(OC)C2C3C(=O)OC(=O)C3C12
InChIInChI=1S/C10H12O6/c1-13-9-5-3-4(8(12)15-7(3)11)6(5)10(14-2)16-9/h3-6,9-10H,1-2H3
InChIKeyFKYNJTWEBVGFMG-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.48
Rot. Bonds2

About 8,10-dimethoxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5-dione

8,10-dimethoxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5-dione (PubChem CID 91732284) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is 8,10-dimethoxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5-dione.

Molecular Properties

Compound Name8,10-dimethoxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5-dione
PubChem CID91732284
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name8,10-dimethoxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5-dione
SMILESCOC1OC(OC)C2C3C(=O)OC(=O)C3C12
InChIInChI=1S/C10H12O6/c1-13-9-5-3-4(8(12)15-7(3)11)6(5)10(14-2)16-9/h3-6,9-10H,1-2H3
InChIKeyFKYNJTWEBVGFMG-UHFFFAOYSA-N
XLogP-0.48
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.48
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

(1R,2S,6R,7S)-10,10-dimethyl-4,9,11-trioxatricyclo[5.5.0.02,6]dodecane-3,5-dione
CID 154715926
(3aR,3bS,6aR,6bS)-hexahydrocyclobuta[1,2-c:3,4-c']difuran-1(3H)-one
CID 155921377
(1S,2R,6S,7S)-4,9,11-trioxatricyclo[5.5.0.02,6]dodecan-3-one
CID 54763779
Dimethyl 2,4-dimethoxy-3-oxabicyclo[3.2.0]heptane-6,7-dicarboxylate
CID 91738051
3-(1,1-Diethoxybutan-2-yl)-4-methyloxolane-2,5-dione
CID 18716736
3-[1-(1,3-Dioxolan-2-yl)propyl]-4-methyloxolane-2,5-dione
CID 22898121
10-Hydroxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione
CID 90266402
4,9-Dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone;ethane
CID 91091247
4,9-Dioxatricyclo[5.3.0.02,6]decan-3-one
CID 123897879
1,6-Dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione
CID 129088840
10-Hydroxy-2,7-dimethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione
CID 130222963
4,9-Dioxatricyclo[5.3.0.02,6]decane-3,5,8-trione
CID 130455593

Frequently Asked Questions

What is the IUPAC name of 8,10-dimethoxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5-dione?
The IUPAC name of 8,10-dimethoxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5-dione (CID 91732284) is 8,10-dimethoxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5-dione.
What is the SMILES notation for 8,10-dimethoxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5-dione?
The canonical SMILES for 8,10-dimethoxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5-dione is COC1OC(OC)C2C3C(=O)OC(=O)C3C12.
What is the InChIKey of 8,10-dimethoxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5-dione?
The InChIKey is FKYNJTWEBVGFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6/c1-13-9-5-3-4(8(12)15-7(3)11)6(5)10(14-2)16-9/h3-6,9-10H,1-2H3.
What are the key properties of 8,10-dimethoxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5-dione?
8,10-dimethoxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5-dione has a molecular weight of 228.20 g/mol, XLogP of -0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethoxy-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5-dione is sourced from PubChem (CID 91732284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).