(1R,2S,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.01,5]dodec-4-ene-3,10-dione

C15H20O4 — CID 10015667

IUPAC(1R,2S,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.01,5]dodec-4-ene-3,10-dione
SMILESC[C@@H]1C(=O)C=C2[C@]13CC(=O)O[C@H](C3)[C@@H](C)[C@@]2(C)CO
InChIInChI=1S/C15H20O4/c1-8-10(17)4-12-14(3,7-16)9(2)11-5-15(8,12)6-13(18)19-11/h4,8-9,11,16H,5-7H2,1-3H3/t8-,9-,11-,14-,15-/m1/s1
InChIKeyOZYHJADBOXHPLS-LVSZHXFLSA-N
MW264.32 g/mol
LogP1.47
Rot. Bonds1

About (1R,2S,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.01,5]dodec-4-ene-3,10-dione

(1R,2S,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.01,5]dodec-4-ene-3,10-dione (PubChem CID 10015667) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1R,2S,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.01,5]dodec-4-ene-3,10-dione.

Molecular Properties

Compound Name(1R,2S,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.01,5]dodec-4-ene-3,10-dione
PubChem CID10015667
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(1R,2S,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.01,5]dodec-4-ene-3,10-dione
SMILESC[C@@H]1C(=O)C=C2[C@]13CC(=O)O[C@H](C3)[C@@H](C)[C@@]2(C)CO
InChIInChI=1S/C15H20O4/c1-8-10(17)4-12-14(3,7-16)9(2)11-5-15(8,12)6-13(18)19-11/h4,8-9,11,16H,5-7H2,1-3H3/t8-,9-,11-,14-,15-/m1/s1
InChIKeyOZYHJADBOXHPLS-LVSZHXFLSA-N
XLogP1.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,2S,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.01,5]dodec-4-ene-3,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.01,5]dodec-4-ene-3,10-dione?
The IUPAC name of (1R,2S,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.01,5]dodec-4-ene-3,10-dione (CID 10015667) is (1R,2S,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.01,5]dodec-4-ene-3,10-dione.
What is the SMILES notation for (1R,2S,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.01,5]dodec-4-ene-3,10-dione?
The canonical SMILES for (1R,2S,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.01,5]dodec-4-ene-3,10-dione is C[C@@H]1C(=O)C=C2[C@]13CC(=O)O[C@H](C3)[C@@H](C)[C@@]2(C)CO.
What is the InChIKey of (1R,2S,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.01,5]dodec-4-ene-3,10-dione?
The InChIKey is OZYHJADBOXHPLS-LVSZHXFLSA-N. The full InChI is InChI=1S/C15H20O4/c1-8-10(17)4-12-14(3,7-16)9(2)11-5-15(8,12)6-13(18)19-11/h4,8-9,11,16H,5-7H2,1-3H3/t8-,9-,11-,14-,15-/m1/s1.
What are the key properties of (1R,2S,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.01,5]dodec-4-ene-3,10-dione?
(1R,2S,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.01,5]dodec-4-ene-3,10-dione has a molecular weight of 264.32 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S,8R)-6-(hydroxymethyl)-2,6,7-trimethyl-9-oxatricyclo[6.3.1.01,5]dodec-4-ene-3,10-dione is sourced from PubChem (CID 10015667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).