8-hydroxy-3,3-dimethyl-2,4,7,12-tetraoxatricyclo[7.3.0.01,5]dodec-9-en-11-one

C10H12O6 — CID 101109449

IUPAC8-hydroxy-3,3-dimethyl-2,4,7,12-tetraoxatricyclo[7.3.0.01,5]dodec-9-en-11-one
SMILESCC1(C)OC2COC(O)C3=CC(=O)OC32O1
InChIInChI=1S/C10H12O6/c1-9(2)14-6-4-13-8(12)5-3-7(11)15-10(5,6)16-9/h3,6,8,12H,4H2,1-2H3
InChIKeyFEXGSEFTHCFGDF-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.33
Rot. Bonds

About 8-hydroxy-3,3-dimethyl-2,4,7,12-tetraoxatricyclo[7.3.0.01,5]dodec-9-en-11-one

8-hydroxy-3,3-dimethyl-2,4,7,12-tetraoxatricyclo[7.3.0.01,5]dodec-9-en-11-one (PubChem CID 101109449) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is 8-hydroxy-3,3-dimethyl-2,4,7,12-tetraoxatricyclo[7.3.0.01,5]dodec-9-en-11-one.

Molecular Properties

Compound Name8-hydroxy-3,3-dimethyl-2,4,7,12-tetraoxatricyclo[7.3.0.01,5]dodec-9-en-11-one
PubChem CID101109449
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name8-hydroxy-3,3-dimethyl-2,4,7,12-tetraoxatricyclo[7.3.0.01,5]dodec-9-en-11-one
SMILESCC1(C)OC2COC(O)C3=CC(=O)OC32O1
InChIInChI=1S/C10H12O6/c1-9(2)14-6-4-13-8(12)5-3-7(11)15-10(5,6)16-9/h3,6,8,12H,4H2,1-2H3
InChIKeyFEXGSEFTHCFGDF-UHFFFAOYSA-N
XLogP-0.33
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-hydroxy-3,3-dimethyl-2,4,7,12-tetraoxatricyclo[7.3.0.01,5]dodec-9-en-11-one with MolForge

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Related Compounds

2-hydroxy-3-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one
CID 10954847
2(5H)-Furanone, 4-(3,6-dihydro-5-methyl-2H-pyran-2-yl)-5-hydroxy-
CID 11063341
3-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2H-furan-5-one
CID 10680117
4-((4-Hydroxy-2-oxo-4,6,7,7a-tetrahydro-2H-furo[3,2-c]pyran-7-yl)oxy)-4-oxobutanoic acid
CID 23729185
(4r,7r)-4,7-Dihydroxy-4,5,7,7a-tetrahydro-furo[2,3-c]pyran-2-one
CID 138756296
ethyl (2Z)-2-[(3aR,6R,7aS)-6-methoxy-2,2-dimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ylidene]acetate
CID 139251391
(Z)-3-[(2R,3R,7S,7aS)-3,5-dihydroxy-7-methyl-3,5,7,7a-tetrahydro-2H-furo[3,4-b]pyran-2-yl]prop-2-enoic acid
CID 126513613
ethyl 2-[(2R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxolan-3-ylidene]acetate
CID 141618044
[(2S)-3-[(2S,6S)-6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl]-5-oxo-2H-furan-2-yl] acetate
CID 10491136
3-[(4R,5R)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]-2H-furan-5-one
CID 10632404
3-[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-furan-5-one
CID 10727341
[(2R)-3-[(2S,6S)-6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl]-5-oxo-2H-furan-2-yl] acetate
CID 10800914

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3,3-dimethyl-2,4,7,12-tetraoxatricyclo[7.3.0.01,5]dodec-9-en-11-one?
The IUPAC name of 8-hydroxy-3,3-dimethyl-2,4,7,12-tetraoxatricyclo[7.3.0.01,5]dodec-9-en-11-one (CID 101109449) is 8-hydroxy-3,3-dimethyl-2,4,7,12-tetraoxatricyclo[7.3.0.01,5]dodec-9-en-11-one.
What is the SMILES notation for 8-hydroxy-3,3-dimethyl-2,4,7,12-tetraoxatricyclo[7.3.0.01,5]dodec-9-en-11-one?
The canonical SMILES for 8-hydroxy-3,3-dimethyl-2,4,7,12-tetraoxatricyclo[7.3.0.01,5]dodec-9-en-11-one is CC1(C)OC2COC(O)C3=CC(=O)OC32O1.
What is the InChIKey of 8-hydroxy-3,3-dimethyl-2,4,7,12-tetraoxatricyclo[7.3.0.01,5]dodec-9-en-11-one?
The InChIKey is FEXGSEFTHCFGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6/c1-9(2)14-6-4-13-8(12)5-3-7(11)15-10(5,6)16-9/h3,6,8,12H,4H2,1-2H3.
What are the key properties of 8-hydroxy-3,3-dimethyl-2,4,7,12-tetraoxatricyclo[7.3.0.01,5]dodec-9-en-11-one?
8-hydroxy-3,3-dimethyl-2,4,7,12-tetraoxatricyclo[7.3.0.01,5]dodec-9-en-11-one has a molecular weight of 228.20 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3,3-dimethyl-2,4,7,12-tetraoxatricyclo[7.3.0.01,5]dodec-9-en-11-one is sourced from PubChem (CID 101109449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).