(1S,2S,5R,6R)-9-oxatricyclo[4.2.1.12,5]dec-7-en-10-one

C9H10O2 — CID 2755134

IUPAC(1S,2S,5R,6R)-9-oxatricyclo[4.2.1.12,5]dec-7-en-10-one
SMILESO=C1[C@H]2CC[C@@H]1[C@H]1C=C[C@@H]2O1
InChIInChI=1S/C9H10O2/c10-9-5-1-2-6(9)8-4-3-7(5)11-8/h3-8H,1-2H2/t5-,6+,7-,8+
InChIKeyFHOHBNNKNDJQNB-KVFPUHGPSA-N
MW150.18 g/mol
LogP0.92
Rot. Bonds

About (1S,2S,5R,6R)-9-oxatricyclo[4.2.1.12,5]dec-7-en-10-one

(1S,2S,5R,6R)-9-oxatricyclo[4.2.1.12,5]dec-7-en-10-one (PubChem CID 2755134) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (1S,2S,5R,6R)-9-oxatricyclo[4.2.1.12,5]dec-7-en-10-one.

Molecular Properties

Compound Name(1S,2S,5R,6R)-9-oxatricyclo[4.2.1.12,5]dec-7-en-10-one
PubChem CID2755134
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(1S,2S,5R,6R)-9-oxatricyclo[4.2.1.12,5]dec-7-en-10-one
SMILESO=C1[C@H]2CC[C@@H]1[C@H]1C=C[C@@H]2O1
InChIInChI=1S/C9H10O2/c10-9-5-1-2-6(9)8-4-3-7(5)11-8/h3-8H,1-2H2/t5-,6+,7-,8+
InChIKeyFHOHBNNKNDJQNB-KVFPUHGPSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.92
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,2S,5R,6R)-9-oxatricyclo[4.2.1.12,5]dec-7-en-10-one?
The IUPAC name of (1S,2S,5R,6R)-9-oxatricyclo[4.2.1.12,5]dec-7-en-10-one (CID 2755134) is (1S,2S,5R,6R)-9-oxatricyclo[4.2.1.12,5]dec-7-en-10-one.
What is the SMILES notation for (1S,2S,5R,6R)-9-oxatricyclo[4.2.1.12,5]dec-7-en-10-one?
The canonical SMILES for (1S,2S,5R,6R)-9-oxatricyclo[4.2.1.12,5]dec-7-en-10-one is O=C1[C@H]2CC[C@@H]1[C@H]1C=C[C@@H]2O1.
What is the InChIKey of (1S,2S,5R,6R)-9-oxatricyclo[4.2.1.12,5]dec-7-en-10-one?
The InChIKey is FHOHBNNKNDJQNB-KVFPUHGPSA-N. The full InChI is InChI=1S/C9H10O2/c10-9-5-1-2-6(9)8-4-3-7(5)11-8/h3-8H,1-2H2/t5-,6+,7-,8+.
What are the key properties of (1S,2S,5R,6R)-9-oxatricyclo[4.2.1.12,5]dec-7-en-10-one?
(1S,2S,5R,6R)-9-oxatricyclo[4.2.1.12,5]dec-7-en-10-one has a molecular weight of 150.18 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R,6R)-9-oxatricyclo[4.2.1.12,5]dec-7-en-10-one is sourced from PubChem (CID 2755134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).