(1S,3S,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene

C10H12O2 — CID 177397056

IUPAC(1S,3S,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene
SMILESC1C[C@H]2O[C@@H]1C1=C2[C@H]2CC[C@@H]1O2
InChIInChI=1S/C10H12O2/c1-2-6-10-8-4-3-7(12-8)9(10)5(1)11-6/h5-8H,1-4H2/t5-,6+,7-,8+
InChIKeyRFMCQGAFBDUWBW-KVFPUHGPSA-N
MW164.20 g/mol
LogP1.41
Rot. Bonds

About (1S,3S,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene

(1S,3S,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene (PubChem CID 177397056) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (1S,3S,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene.

Molecular Properties

Compound Name(1S,3S,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene
PubChem CID177397056
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(1S,3S,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene
SMILESC1C[C@H]2O[C@@H]1C1=C2[C@H]2CC[C@@H]1O2
InChIInChI=1S/C10H12O2/c1-2-6-10-8-4-3-7(12-8)9(10)5(1)11-6/h5-8H,1-4H2/t5-,6+,7-,8+
InChIKeyRFMCQGAFBDUWBW-KVFPUHGPSA-N
XLogP1.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene?
The IUPAC name of (1S,3S,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene (CID 177397056) is (1S,3S,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene.
What is the SMILES notation for (1S,3S,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene?
The canonical SMILES for (1S,3S,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene is C1C[C@H]2O[C@@H]1C1=C2[C@H]2CC[C@@H]1O2.
What is the InChIKey of (1S,3S,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene?
The InChIKey is RFMCQGAFBDUWBW-KVFPUHGPSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-6-10-8-4-3-7(12-8)9(10)5(1)11-6/h5-8H,1-4H2/t5-,6+,7-,8+.
What are the key properties of (1S,3S,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene?
(1S,3S,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene has a molecular weight of 164.20 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,6R,8R)-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodec-2(7)-ene is sourced from PubChem (CID 177397056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).