(1S,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-10-ene

C10H14O4 — CID 72723979

IUPAC(1S,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-10-ene
SMILESCC1(C)O[C@H]2O[C@@H]3CC=CO[C@@H]3[C@H]2O1
InChIInChI=1S/C10H14O4/c1-10(2)13-8-7-6(4-3-5-11-7)12-9(8)14-10/h3,5-9H,4H2,1-2H3/t6-,7+,8-,9-/m1/s1
InChIKeyHUTUPZYXBONXCE-BZNPZCIMSA-N
MW198.22 g/mol
LogP1.17
Rot. Bonds

About (1S,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-10-ene

(1S,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-10-ene (PubChem CID 72723979) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (1S,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-10-ene.

Molecular Properties

Compound Name(1S,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-10-ene
PubChem CID72723979
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(1S,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-10-ene
SMILESCC1(C)O[C@H]2O[C@@H]3CC=CO[C@@H]3[C@H]2O1
InChIInChI=1S/C10H14O4/c1-10(2)13-8-7-6(4-3-5-11-7)12-9(8)14-10/h3,5-9H,4H2,1-2H3/t6-,7+,8-,9-/m1/s1
InChIKeyHUTUPZYXBONXCE-BZNPZCIMSA-N
XLogP1.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-10-ene?
The IUPAC name of (1S,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-10-ene (CID 72723979) is (1S,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-10-ene.
What is the SMILES notation for (1S,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-10-ene?
The canonical SMILES for (1S,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-10-ene is CC1(C)O[C@H]2O[C@@H]3CC=CO[C@@H]3[C@H]2O1.
What is the InChIKey of (1S,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-10-ene?
The InChIKey is HUTUPZYXBONXCE-BZNPZCIMSA-N. The full InChI is InChI=1S/C10H14O4/c1-10(2)13-8-7-6(4-3-5-11-7)12-9(8)14-10/h3,5-9H,4H2,1-2H3/t6-,7+,8-,9-/m1/s1.
What are the key properties of (1S,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-10-ene?
(1S,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-10-ene has a molecular weight of 198.22 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,8R)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodec-10-ene is sourced from PubChem (CID 72723979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).