(1S,2S,5R,8R)-2-methoxytricyclo[6.3.0.01,5]undecane-3,7-dione

C12H16O3 — CID 10822251

IUPAC(1S,2S,5R,8R)-2-methoxytricyclo[6.3.0.01,5]undecane-3,7-dione
SMILESCO[C@@H]1C(=O)C[C@H]2CC(=O)[C@@H]3CCC[C@@]213
InChIInChI=1S/C12H16O3/c1-15-11-10(14)6-7-5-9(13)8-3-2-4-12(7,8)11/h7-8,11H,2-6H2,1H3/t7-,8+,11-,12+/m1/s1
InChIKeyUZSZLCPDXRZPGG-FCMYFTRRSA-N
MW208.26 g/mol
LogP1.35
Rot. Bonds1

About (1S,2S,5R,8R)-2-methoxytricyclo[6.3.0.01,5]undecane-3,7-dione

(1S,2S,5R,8R)-2-methoxytricyclo[6.3.0.01,5]undecane-3,7-dione (PubChem CID 10822251) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is (1S,2S,5R,8R)-2-methoxytricyclo[6.3.0.01,5]undecane-3,7-dione.

Molecular Properties

Compound Name(1S,2S,5R,8R)-2-methoxytricyclo[6.3.0.01,5]undecane-3,7-dione
PubChem CID10822251
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name(1S,2S,5R,8R)-2-methoxytricyclo[6.3.0.01,5]undecane-3,7-dione
SMILESCO[C@@H]1C(=O)C[C@H]2CC(=O)[C@@H]3CCC[C@@]213
InChIInChI=1S/C12H16O3/c1-15-11-10(14)6-7-5-9(13)8-3-2-4-12(7,8)11/h7-8,11H,2-6H2,1H3/t7-,8+,11-,12+/m1/s1
InChIKeyUZSZLCPDXRZPGG-FCMYFTRRSA-N
XLogP1.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R,8R)-2-methoxytricyclo[6.3.0.01,5]undecane-3,7-dione?
The IUPAC name of (1S,2S,5R,8R)-2-methoxytricyclo[6.3.0.01,5]undecane-3,7-dione (CID 10822251) is (1S,2S,5R,8R)-2-methoxytricyclo[6.3.0.01,5]undecane-3,7-dione.
What is the SMILES notation for (1S,2S,5R,8R)-2-methoxytricyclo[6.3.0.01,5]undecane-3,7-dione?
The canonical SMILES for (1S,2S,5R,8R)-2-methoxytricyclo[6.3.0.01,5]undecane-3,7-dione is CO[C@@H]1C(=O)C[C@H]2CC(=O)[C@@H]3CCC[C@@]213.
What is the InChIKey of (1S,2S,5R,8R)-2-methoxytricyclo[6.3.0.01,5]undecane-3,7-dione?
The InChIKey is UZSZLCPDXRZPGG-FCMYFTRRSA-N. The full InChI is InChI=1S/C12H16O3/c1-15-11-10(14)6-7-5-9(13)8-3-2-4-12(7,8)11/h7-8,11H,2-6H2,1H3/t7-,8+,11-,12+/m1/s1.
What are the key properties of (1S,2S,5R,8R)-2-methoxytricyclo[6.3.0.01,5]undecane-3,7-dione?
(1S,2S,5R,8R)-2-methoxytricyclo[6.3.0.01,5]undecane-3,7-dione has a molecular weight of 208.26 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R,8R)-2-methoxytricyclo[6.3.0.01,5]undecane-3,7-dione is sourced from PubChem (CID 10822251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).