(1R,2R,7S,8R)-11-oxatricyclo[6.2.1.02,7]undec-5-ene-4,10-dione

C10H10O3 — CID 130992301

IUPAC(1R,2R,7S,8R)-11-oxatricyclo[6.2.1.02,7]undec-5-ene-4,10-dione
SMILESO=C1C=C[C@H]2[C@@H](C1)[C@H]1O[C@@H]2CC1=O
InChIInChI=1S/C10H10O3/c11-5-1-2-6-7(3-5)10-8(12)4-9(6)13-10/h1-2,6-7,9-10H,3-4H2/t6-,7+,9+,10+/m0/s1
InChIKeyDXOUFNYIZYGHJM-MVHNUAHISA-N
MW178.19 g/mol
LogP0.49
Rot. Bonds

About (1R,2R,7S,8R)-11-oxatricyclo[6.2.1.02,7]undec-5-ene-4,10-dione

(1R,2R,7S,8R)-11-oxatricyclo[6.2.1.02,7]undec-5-ene-4,10-dione (PubChem CID 130992301) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is (1R,2R,7S,8R)-11-oxatricyclo[6.2.1.02,7]undec-5-ene-4,10-dione.

Molecular Properties

Compound Name(1R,2R,7S,8R)-11-oxatricyclo[6.2.1.02,7]undec-5-ene-4,10-dione
PubChem CID130992301
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name(1R,2R,7S,8R)-11-oxatricyclo[6.2.1.02,7]undec-5-ene-4,10-dione
SMILESO=C1C=C[C@H]2[C@@H](C1)[C@H]1O[C@@H]2CC1=O
InChIInChI=1S/C10H10O3/c11-5-1-2-6-7(3-5)10-8(12)4-9(6)13-10/h1-2,6-7,9-10H,3-4H2/t6-,7+,9+,10+/m0/s1
InChIKeyDXOUFNYIZYGHJM-MVHNUAHISA-N
XLogP0.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,7S,8R)-11-oxatricyclo[6.2.1.02,7]undec-5-ene-4,10-dione?
The IUPAC name of (1R,2R,7S,8R)-11-oxatricyclo[6.2.1.02,7]undec-5-ene-4,10-dione (CID 130992301) is (1R,2R,7S,8R)-11-oxatricyclo[6.2.1.02,7]undec-5-ene-4,10-dione.
What is the SMILES notation for (1R,2R,7S,8R)-11-oxatricyclo[6.2.1.02,7]undec-5-ene-4,10-dione?
The canonical SMILES for (1R,2R,7S,8R)-11-oxatricyclo[6.2.1.02,7]undec-5-ene-4,10-dione is O=C1C=C[C@H]2[C@@H](C1)[C@H]1O[C@@H]2CC1=O.
What is the InChIKey of (1R,2R,7S,8R)-11-oxatricyclo[6.2.1.02,7]undec-5-ene-4,10-dione?
The InChIKey is DXOUFNYIZYGHJM-MVHNUAHISA-N. The full InChI is InChI=1S/C10H10O3/c11-5-1-2-6-7(3-5)10-8(12)4-9(6)13-10/h1-2,6-7,9-10H,3-4H2/t6-,7+,9+,10+/m0/s1.
What are the key properties of (1R,2R,7S,8R)-11-oxatricyclo[6.2.1.02,7]undec-5-ene-4,10-dione?
(1R,2R,7S,8R)-11-oxatricyclo[6.2.1.02,7]undec-5-ene-4,10-dione has a molecular weight of 178.19 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,7S,8R)-11-oxatricyclo[6.2.1.02,7]undec-5-ene-4,10-dione is sourced from PubChem (CID 130992301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).