9-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,11-trione

C10H10O6 — CID 147854415

IUPAC9-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,11-trione
SMILESO=C1CC2C(CC3C(=O)OC(=O)C32)C(O)O1
InChIInChI=1S/C10H10O6/c11-6-2-3-4(8(12)15-6)1-5-7(3)10(14)16-9(5)13/h3-5,7-8,12H,1-2H2
InChIKeyHVLONGQVJKQFMC-UHFFFAOYSA-N
MW226.18 g/mol
LogP-0.80
Rot. Bonds

About 9-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,11-trione

9-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,11-trione (PubChem CID 147854415) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is 9-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,11-trione.

Molecular Properties

Compound Name9-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,11-trione
PubChem CID147854415
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name9-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,11-trione
SMILESO=C1CC2C(CC3C(=O)OC(=O)C32)C(O)O1
InChIInChI=1S/C10H10O6/c11-6-2-3-4(8(12)15-6)1-5-7(3)10(14)16-9(5)13/h3-5,7-8,12H,1-2H2
InChIKeyHVLONGQVJKQFMC-UHFFFAOYSA-N
XLogP-0.80
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Penifulvin B
CID 11994451
Penifulvin C
CID 11994447
10-(Hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
CID 73172459
4,10-Dioxatricyclo[6.4.0.02,6]dodecane-3,5,9,11-tetrone
CID 54525774
(1R,8R,10R,11S,14S)-10-(hydroxymethyl)-8,10-dimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
CID 138965956
methyl (1R,4R,7S,11S)-1,9-dihydroxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-8-carboxylate
CID 59131289
1-Hydroxy-7-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-5-carboxylic acid
CID 67788588
(3S)-3-hydroxy-4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-5,10,12-trione
CID 88957014
3-Hydroxy-4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-5,10,12-trione
CID 88969417
4-Hydroxyspiro[3-oxabicyclo[3.2.1]octane-7,3'-oxolane]-2,2',5'-trione
CID 129069842
10-Hydroxy-4,11-dioxatetracyclo[6.5.1.02,7.09,13]tetradecane-3,5,12-trione
CID 129069878
(6S)-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,9,11-tetrone
CID 138605973

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,11-trione?
The IUPAC name of 9-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,11-trione (CID 147854415) is 9-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,11-trione.
What is the SMILES notation for 9-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,11-trione?
The canonical SMILES for 9-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,11-trione is O=C1CC2C(CC3C(=O)OC(=O)C32)C(O)O1.
What is the InChIKey of 9-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,11-trione?
The InChIKey is HVLONGQVJKQFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c11-6-2-3-4(8(12)15-6)1-5-7(3)10(14)16-9(5)13/h3-5,7-8,12H,1-2H2.
What are the key properties of 9-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,11-trione?
9-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,11-trione has a molecular weight of 226.18 g/mol, XLogP of -0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-4,10-dioxatricyclo[6.4.0.02,6]dodecane-3,5,11-trione is sourced from PubChem (CID 147854415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).