(1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-10-one

C9H10O2 — CID 10975662

IUPAC(1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-10-one
SMILESO=C1[C@H]2C=C[C@@H]1[C@@H]1COC[C@@H]12
InChIInChI=1S/C9H10O2/c10-9-5-1-2-6(9)8-4-11-3-7(5)8/h1-2,5-8H,3-4H2/t5-,6+,7+,8-
InChIKeyNRULWYOBTDVMGG-SOSBWXJGSA-N
MW150.18 g/mol
LogP0.63
Rot. Bonds

About (1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-10-one

(1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-10-one (PubChem CID 10975662) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-10-one.

Molecular Properties

Compound Name(1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-10-one
PubChem CID10975662
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-10-one
SMILESO=C1[C@H]2C=C[C@@H]1[C@@H]1COC[C@@H]12
InChIInChI=1S/C9H10O2/c10-9-5-1-2-6(9)8-4-11-3-7(5)8/h1-2,5-8H,3-4H2/t5-,6+,7+,8-
InChIKeyNRULWYOBTDVMGG-SOSBWXJGSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-10-one?
The IUPAC name of (1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-10-one (CID 10975662) is (1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-10-one.
What is the SMILES notation for (1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-10-one?
The canonical SMILES for (1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-10-one is O=C1[C@H]2C=C[C@@H]1[C@@H]1COC[C@@H]12.
What is the InChIKey of (1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-10-one?
The InChIKey is NRULWYOBTDVMGG-SOSBWXJGSA-N. The full InChI is InChI=1S/C9H10O2/c10-9-5-1-2-6(9)8-4-11-3-7(5)8/h1-2,5-8H,3-4H2/t5-,6+,7+,8-.
What are the key properties of (1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-10-one?
(1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-10-one has a molecular weight of 150.18 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-10-one is sourced from PubChem (CID 10975662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).