5'-(furan-3-yl)-1-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione

C19H20O6 — CID 156602876

IUPAC5'-(furan-3-yl)-1-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione
SMILESCC1CC2(O)OC(=O)C3=C2C(CCC3)C12CC(c1ccoc1)OC2=O
InChIInChI=1S/C19H20O6/c1-10-7-19(22)15-12(16(20)25-19)3-2-4-13(15)18(10)8-14(24-17(18)21)11-5-6-23-9-11/h5-6,9-10,13-14,22H,2-4,7-8H2,1H3
InChIKeyLIGLPZJMSAQJSF-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.64
Rot. Bonds1

About 5'-(furan-3-yl)-1-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione

5'-(furan-3-yl)-1-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione (PubChem CID 156602876) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is 5'-(furan-3-yl)-1-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione.

Molecular Properties

Compound Name5'-(furan-3-yl)-1-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione
PubChem CID156602876
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name5'-(furan-3-yl)-1-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione
SMILESCC1CC2(O)OC(=O)C3=C2C(CCC3)C12CC(c1ccoc1)OC2=O
InChIInChI=1S/C19H20O6/c1-10-7-19(22)15-12(16(20)25-19)3-2-4-13(15)18(10)8-14(24-17(18)21)11-5-6-23-9-11/h5-6,9-10,13-14,22H,2-4,7-8H2,1H3
InChIKeyLIGLPZJMSAQJSF-UHFFFAOYSA-N
XLogP2.64
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5'-(furan-3-yl)-1-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione with MolForge

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Related Compounds

(1R,3R,4R,4aS,5'R)-5'-(furan-3-yl)-1-hydroxy-8-(hydroxymethyl)-3-methylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-4,3'-oxolane]-2'-one
CID 10735323
(4aS,5R,5'S,6R)-5'-(furan-3-yl)-1,6-dimethylspiro[3,4,4a,6,7,8-hexahydronaphthalene-5,3'-oxolane]-2,2'-dione
CID 165413755
[(1R,3R,4R,4aS)-5'-(furan-3-yl)-8-(hydroxymethyl)-3-methyl-2'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-4,3'-oxolane]-1-yl] acetate
CID 23928128
(1S,4R,5'R,8R,9R,10R,12R)-5'-(furan-3-yl)-12-(hydroxymethyl)-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodecane-9,3'-oxolane]-2',3-dione
CID 162992215
(3R,4R,5'S)-5'-(furan-3-yl)-3-methylspiro[2,3,5,6,7,8-hexahydronaphthalene-4,3'-oxolane]-1,2'-dione
CID 53474774
(5'S,6aS,7R,8R,10R,10aR)-10-acetyl-5'-(furan-3-yl)-8-methylspiro[5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7,3'-oxolane]-2',3-dione
CID 101262485
(1S,5'S,8R,9R,10R)-5'-(furan-2-yl)-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione
CID 162966136
(3aS,5'R,6aR,7S,8S,9R,10aR)-5'-(furan-3-yl)-3a,9-dihydroxy-8-methylspiro[1,6,6a,8,9,10-hexahydrobenzo[d][2]benzofuran-7,3'-oxolane]-2',3-dione
CID 162846544
5'-(furan-3-yl)-3a,9-dihydroxy-8-methylspiro[1,6,6a,8,9,10-hexahydrobenzo[d][2]benzofuran-7,3'-oxolane]-2',3-dione
CID 13120896
[(3S,3aR,5'S,6aS,7R,8R,10R,10aR)-3-acetyloxy-5'-(furan-3-yl)-8-methyl-2'-oxospiro[1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-7,3'-oxolane]-10-yl] acetate
CID 14396805
dimethyl (1S,2R,4aR,5S,5'R,6S,8aR)-2-acetyloxy-5'-(furan-3-yl)-1-hydroxy-6-methyl-2'-oxospiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-5,3'-oxolane]-1,8a-dicarboxylate
CID 162992763
(2R,3S,4R,4aS,5'S,8S,8aS)-8-(chloromethyl)-5'-(furan-3-yl)-2,8-dihydroxy-8a-(hydroxymethyl)-3-methylspiro[3,4a,5,6-tetrahydro-2H-naphthalene-4,3'-oxolane]-1,2',7-trione
CID 163029132

Frequently Asked Questions

What is the IUPAC name of 5'-(furan-3-yl)-1-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione?
The IUPAC name of 5'-(furan-3-yl)-1-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione (CID 156602876) is 5'-(furan-3-yl)-1-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione.
What is the SMILES notation for 5'-(furan-3-yl)-1-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione?
The canonical SMILES for 5'-(furan-3-yl)-1-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione is CC1CC2(O)OC(=O)C3=C2C(CCC3)C12CC(c1ccoc1)OC2=O.
What is the InChIKey of 5'-(furan-3-yl)-1-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione?
The InChIKey is LIGLPZJMSAQJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-10-7-19(22)15-12(16(20)25-19)3-2-4-13(15)18(10)8-14(24-17(18)21)11-5-6-23-9-11/h5-6,9-10,13-14,22H,2-4,7-8H2,1H3.
What are the key properties of 5'-(furan-3-yl)-1-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione?
5'-(furan-3-yl)-1-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione has a molecular weight of 344.36 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(furan-3-yl)-1-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione is sourced from PubChem (CID 156602876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).