5,9-dioxatricyclo[5.2.1.04,8]decan-6-one

C8H10O3 — CID 123240805

IUPAC5,9-dioxatricyclo[5.2.1.04,8]decan-6-one
SMILESO=C1OC2CCC3CC1C2O3
InChIInChI=1S/C8H10O3/c9-8-5-3-4-1-2-6(11-8)7(5)10-4/h4-7H,1-3H2
InChIKeyZESAAZZYVCAPJO-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.48
Rot. Bonds

About 5,9-dioxatricyclo[5.2.1.04,8]decan-6-one

5,9-dioxatricyclo[5.2.1.04,8]decan-6-one (PubChem CID 123240805) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 5,9-dioxatricyclo[5.2.1.04,8]decan-6-one.

Molecular Properties

Compound Name5,9-dioxatricyclo[5.2.1.04,8]decan-6-one
PubChem CID123240805
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name5,9-dioxatricyclo[5.2.1.04,8]decan-6-one
SMILESO=C1OC2CCC3CC1C2O3
InChIInChI=1S/C8H10O3/c9-8-5-3-4-1-2-6(11-8)7(5)10-4/h4-7H,1-3H2
InChIKeyZESAAZZYVCAPJO-UHFFFAOYSA-N
XLogP0.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,9-dioxatricyclo[5.2.1.04,8]decan-6-one 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

6-hexyl-3-methyl-(3S,3aS,6R,6aR)-perhydrofuro[3,4-b]furan-2,4-dione
CID 101515910
(3R,3aR,6R,6aS)-6-butyl-3-methyl-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione
CID 101821092
3-(Oxolan-2-ylmethyl)oxolan-2-one
CID 85815229
Dihydrocanadensolide
CID 10998327
6-Butyl-3-methyl-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione
CID 14635158
(3R)-3-[(2R)-oxan-2-yl]oxolan-2-one
CID 101790823
(1S,4R,7S,8R)-1-methyl-2,5,9-trioxatricyclo[5.2.1.04,8]decan-6-one
CID 132572203
(3aR,6aS)-spiro[3,3a,6,6a-tetrahydrofuro[2,3-c]furan-4,2'-oxane]-2-one
CID 134844320
3-(Oxan-2-yl)oxolan-2-one
CID 134846959
No. 2106 A
CID 139586228
(3S,3aS,6R,6aR)-6-butyl-3-methyl-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione
CID 10081899
(3R,3aS,6R,6aR)-6-hexyl-3-methyl-3,3a,6,6a-tetrahydrofuro[3,4-b]furan-2,4-dione
CID 10444311

Frequently Asked Questions

What is the IUPAC name of 5,9-dioxatricyclo[5.2.1.04,8]decan-6-one?
The IUPAC name of 5,9-dioxatricyclo[5.2.1.04,8]decan-6-one (CID 123240805) is 5,9-dioxatricyclo[5.2.1.04,8]decan-6-one.
What is the SMILES notation for 5,9-dioxatricyclo[5.2.1.04,8]decan-6-one?
The canonical SMILES for 5,9-dioxatricyclo[5.2.1.04,8]decan-6-one is O=C1OC2CCC3CC1C2O3.
What is the InChIKey of 5,9-dioxatricyclo[5.2.1.04,8]decan-6-one?
The InChIKey is ZESAAZZYVCAPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-8-5-3-4-1-2-6(11-8)7(5)10-4/h4-7H,1-3H2.
What are the key properties of 5,9-dioxatricyclo[5.2.1.04,8]decan-6-one?
5,9-dioxatricyclo[5.2.1.04,8]decan-6-one has a molecular weight of 154.16 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dioxatricyclo[5.2.1.04,8]decan-6-one is sourced from PubChem (CID 123240805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).