(3R,4R,5'S)-5'-(furan-3-yl)-3-methylspiro[2,3,5,6,7,8-hexahydronaphthalene-4,3'-oxolane]-1,2'-dione

C18H20O4 — CID 53474774

IUPAC(3R,4R,5'S)-5'-(furan-3-yl)-3-methylspiro[2,3,5,6,7,8-hexahydronaphthalene-4,3'-oxolane]-1,2'-dione
SMILESC[C@@H]1CC(=O)C2=C(CCCC2)[C@@]12C[C@@H](c1ccoc1)OC2=O
InChIInChI=1S/C18H20O4/c1-11-8-15(19)13-4-2-3-5-14(13)18(11)9-16(22-17(18)20)12-6-7-21-10-12/h6-7,10-11,16H,2-5,8-9H2,1H3/t11-,16+,18-/m1/s1
InChIKeyVGYJGCMTDFUNCY-DPZKZMLUSA-N
MW300.35 g/mol
LogP3.73
Rot. Bonds1

About (3R,4R,5'S)-5'-(furan-3-yl)-3-methylspiro[2,3,5,6,7,8-hexahydronaphthalene-4,3'-oxolane]-1,2'-dione

(3R,4R,5'S)-5'-(furan-3-yl)-3-methylspiro[2,3,5,6,7,8-hexahydronaphthalene-4,3'-oxolane]-1,2'-dione (PubChem CID 53474774) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is (3R,4R,5'S)-5'-(furan-3-yl)-3-methylspiro[2,3,5,6,7,8-hexahydronaphthalene-4,3'-oxolane]-1,2'-dione.

Molecular Properties

Compound Name(3R,4R,5'S)-5'-(furan-3-yl)-3-methylspiro[2,3,5,6,7,8-hexahydronaphthalene-4,3'-oxolane]-1,2'-dione
PubChem CID53474774
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name(3R,4R,5'S)-5'-(furan-3-yl)-3-methylspiro[2,3,5,6,7,8-hexahydronaphthalene-4,3'-oxolane]-1,2'-dione
SMILESC[C@@H]1CC(=O)C2=C(CCCC2)[C@@]12C[C@@H](c1ccoc1)OC2=O
InChIInChI=1S/C18H20O4/c1-11-8-15(19)13-4-2-3-5-14(13)18(11)9-16(22-17(18)20)12-6-7-21-10-12/h6-7,10-11,16H,2-5,8-9H2,1H3/t11-,16+,18-/m1/s1
InChIKeyVGYJGCMTDFUNCY-DPZKZMLUSA-N
XLogP3.73
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,4R,5'S)-5'-(furan-3-yl)-3-methylspiro[2,3,5,6,7,8-hexahydronaphthalene-4,3'-oxolane]-1,2'-dione with MolForge

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Related Compounds

dimethyl 8-acetyloxy-5'-(furan-3-yl)-6-methyl-2'-oxospiro[2,3,4,6,7,8-hexahydronaphthalene-5,3'-oxolane]-1,1-dicarboxylate
CID 163083887
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
(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'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
(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
[(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
(2aR,4S,5'S,5aS,6S,7S,9R,9aR)-5'-(furan-3-yl)-4,9-dihydroxy-2a-(hydroxymethyl)-7-methylspiro[1,3,4,5,5a,7,8,9-octahydronaphtho[1,8a-b]oxete-6,3'-oxolane]-2'-one
CID 163021247
(5'S,8S,9S,12R)-5'-(furan-3-yl)-12-(hydroxymethyl)-10-methylidenespiro[2-oxatricyclo[6.3.1.04,12]dodec-4-ene-9,3'-oxolane]-2',3-dione
CID 118701317
(3R,4R,4aS,5'R,7R,8R,8aR)-5'-(furan-3-yl)-3,4,8a-trihydroxy-4,4a,7-trimethylspiro[1,2,3,5,6,7-hexahydronaphthalene-8,3'-oxolane]-2'-one
CID 162852044
(2S,4aR,6aR,10aS,10bS)-10b-ethenyl-2-(furan-3-yl)-6a-methyl-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-4,10-dione
CID 143379905
5'-(furan-3-yl)-2-hydroxy-11-(hydroxymethyl)-4-methylspiro[9-oxatricyclo[6.2.2.01,6]dodec-11-ene-5,3'-oxolane]-2'-one
CID 163095198
CID 102056498
CID 102056498

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5'S)-5'-(furan-3-yl)-3-methylspiro[2,3,5,6,7,8-hexahydronaphthalene-4,3'-oxolane]-1,2'-dione?
The IUPAC name of (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) is (3R,4R,5'S)-5'-(furan-3-yl)-3-methylspiro[2,3,5,6,7,8-hexahydronaphthalene-4,3'-oxolane]-1,2'-dione.
What is the SMILES notation for (3R,4R,5'S)-5'-(furan-3-yl)-3-methylspiro[2,3,5,6,7,8-hexahydronaphthalene-4,3'-oxolane]-1,2'-dione?
The canonical SMILES for (3R,4R,5'S)-5'-(furan-3-yl)-3-methylspiro[2,3,5,6,7,8-hexahydronaphthalene-4,3'-oxolane]-1,2'-dione is C[C@@H]1CC(=O)C2=C(CCCC2)[C@@]12C[C@@H](c1ccoc1)OC2=O.
What is the InChIKey of (3R,4R,5'S)-5'-(furan-3-yl)-3-methylspiro[2,3,5,6,7,8-hexahydronaphthalene-4,3'-oxolane]-1,2'-dione?
The InChIKey is VGYJGCMTDFUNCY-DPZKZMLUSA-N. The full InChI is InChI=1S/C18H20O4/c1-11-8-15(19)13-4-2-3-5-14(13)18(11)9-16(22-17(18)20)12-6-7-21-10-12/h6-7,10-11,16H,2-5,8-9H2,1H3/t11-,16+,18-/m1/s1.
What are the key properties of (3R,4R,5'S)-5'-(furan-3-yl)-3-methylspiro[2,3,5,6,7,8-hexahydronaphthalene-4,3'-oxolane]-1,2'-dione?
(3R,4R,5'S)-5'-(furan-3-yl)-3-methylspiro[2,3,5,6,7,8-hexahydronaphthalene-4,3'-oxolane]-1,2'-dione has a molecular weight of 300.35 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5'S)-5'-(furan-3-yl)-3-methylspiro[2,3,5,6,7,8-hexahydronaphthalene-4,3'-oxolane]-1,2'-dione is sourced from PubChem (CID 53474774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).