(1'R,2'S,4S,6R,6'S,8'R)-4,4',4',6-tetramethylspiro[1,3-dioxane-2,7'-3,5,10-trioxatricyclo[6.2.2.02,6]dodec-11-ene]

C16H24O5 — CID 102208294

IUPAC(1'R,2'S,4S,6R,6'S,8'R)-4,4',4',6-tetramethylspiro[1,3-dioxane-2,7'-3,5,10-trioxatricyclo[6.2.2.02,6]dodec-11-ene]
SMILESC[C@@H]1C[C@H](C)OC2(O1)[C@@H]1C=C[C@@H](OC1)[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C16H24O5/c1-9-7-10(2)19-16(18-9)11-5-6-12(17-8-11)13-14(16)21-15(3,4)20-13/h5-6,9-14H,7-8H2,1-4H3/t9-,10+,11-,12-,13+,14+,16?/m1/s1
InChIKeyIYQSSGAXOGFMIO-NHASBOFQSA-N
MW296.36 g/mol
LogP2.00
Rot. Bonds

About (1'R,2'S,4S,6R,6'S,8'R)-4,4',4',6-tetramethylspiro[1,3-dioxane-2,7'-3,5,10-trioxatricyclo[6.2.2.02,6]dodec-11-ene]

(1'R,2'S,4S,6R,6'S,8'R)-4,4',4',6-tetramethylspiro[1,3-dioxane-2,7'-3,5,10-trioxatricyclo[6.2.2.02,6]dodec-11-ene] (PubChem CID 102208294) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is (1'R,2'S,4S,6R,6'S,8'R)-4,4',4',6-tetramethylspiro[1,3-dioxane-2,7'-3,5,10-trioxatricyclo[6.2.2.02,6]dodec-11-ene].

Molecular Properties

Compound Name(1'R,2'S,4S,6R,6'S,8'R)-4,4',4',6-tetramethylspiro[1,3-dioxane-2,7'-3,5,10-trioxatricyclo[6.2.2.02,6]dodec-11-ene]
PubChem CID102208294
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name(1'R,2'S,4S,6R,6'S,8'R)-4,4',4',6-tetramethylspiro[1,3-dioxane-2,7'-3,5,10-trioxatricyclo[6.2.2.02,6]dodec-11-ene]
SMILESC[C@@H]1C[C@H](C)OC2(O1)[C@@H]1C=C[C@@H](OC1)[C@@H]1OC(C)(C)O[C@@H]12
InChIInChI=1S/C16H24O5/c1-9-7-10(2)19-16(18-9)11-5-6-12(17-8-11)13-14(16)21-15(3,4)20-13/h5-6,9-14H,7-8H2,1-4H3/t9-,10+,11-,12-,13+,14+,16?/m1/s1
InChIKeyIYQSSGAXOGFMIO-NHASBOFQSA-N
XLogP2.00
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1'R,2'S,4S,6R,6'S,8'R)-4,4',4',6-tetramethylspiro[1,3-dioxane-2,7'-3,5,10-trioxatricyclo[6.2.2.02,6]dodec-11-ene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'R,2'S,4S,6R,6'S,8'R)-4,4',4',6-tetramethylspiro[1,3-dioxane-2,7'-3,5,10-trioxatricyclo[6.2.2.02,6]dodec-11-ene]?
The IUPAC name of (1'R,2'S,4S,6R,6'S,8'R)-4,4',4',6-tetramethylspiro[1,3-dioxane-2,7'-3,5,10-trioxatricyclo[6.2.2.02,6]dodec-11-ene] (CID 102208294) is (1'R,2'S,4S,6R,6'S,8'R)-4,4',4',6-tetramethylspiro[1,3-dioxane-2,7'-3,5,10-trioxatricyclo[6.2.2.02,6]dodec-11-ene].
What is the SMILES notation for (1'R,2'S,4S,6R,6'S,8'R)-4,4',4',6-tetramethylspiro[1,3-dioxane-2,7'-3,5,10-trioxatricyclo[6.2.2.02,6]dodec-11-ene]?
The canonical SMILES for (1'R,2'S,4S,6R,6'S,8'R)-4,4',4',6-tetramethylspiro[1,3-dioxane-2,7'-3,5,10-trioxatricyclo[6.2.2.02,6]dodec-11-ene] is C[C@@H]1C[C@H](C)OC2(O1)[C@@H]1C=C[C@@H](OC1)[C@@H]1OC(C)(C)O[C@@H]12.
What is the InChIKey of (1'R,2'S,4S,6R,6'S,8'R)-4,4',4',6-tetramethylspiro[1,3-dioxane-2,7'-3,5,10-trioxatricyclo[6.2.2.02,6]dodec-11-ene]?
The InChIKey is IYQSSGAXOGFMIO-NHASBOFQSA-N. The full InChI is InChI=1S/C16H24O5/c1-9-7-10(2)19-16(18-9)11-5-6-12(17-8-11)13-14(16)21-15(3,4)20-13/h5-6,9-14H,7-8H2,1-4H3/t9-,10+,11-,12-,13+,14+,16?/m1/s1.
What are the key properties of (1'R,2'S,4S,6R,6'S,8'R)-4,4',4',6-tetramethylspiro[1,3-dioxane-2,7'-3,5,10-trioxatricyclo[6.2.2.02,6]dodec-11-ene]?
(1'R,2'S,4S,6R,6'S,8'R)-4,4',4',6-tetramethylspiro[1,3-dioxane-2,7'-3,5,10-trioxatricyclo[6.2.2.02,6]dodec-11-ene] has a molecular weight of 296.36 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'S,4S,6R,6'S,8'R)-4,4',4',6-tetramethylspiro[1,3-dioxane-2,7'-3,5,10-trioxatricyclo[6.2.2.02,6]dodec-11-ene] is sourced from PubChem (CID 102208294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).