(1R,2Z,5Z,7S)-10-oxabicyclo[5.2.1]deca-2,5,8-trien-4-one

C9H8O2 — CID 164668670

IUPAC(1R,2Z,5Z,7S)-10-oxabicyclo[5.2.1]deca-2,5,8-trien-4-one
SMILESO=C1/C=C\[C@H]2C=C[C@@H](/C=C\1)O2
InChIInChI=1S/C9H8O2/c10-7-1-3-8-5-6-9(11-8)4-2-7/h1-6,8-9H/b3-1-,4-2-/t8-,9+
InChIKeyBEMMGZPBCCMIAI-KHAXVWIQSA-N
MW148.16 g/mol
LogP1.01
Rot. Bonds

About (1R,2Z,5Z,7S)-10-oxabicyclo[5.2.1]deca-2,5,8-trien-4-one

(1R,2Z,5Z,7S)-10-oxabicyclo[5.2.1]deca-2,5,8-trien-4-one (PubChem CID 164668670) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is (1R,2Z,5Z,7S)-10-oxabicyclo[5.2.1]deca-2,5,8-trien-4-one.

Molecular Properties

Compound Name(1R,2Z,5Z,7S)-10-oxabicyclo[5.2.1]deca-2,5,8-trien-4-one
PubChem CID164668670
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name(1R,2Z,5Z,7S)-10-oxabicyclo[5.2.1]deca-2,5,8-trien-4-one
SMILESO=C1/C=C\[C@H]2C=C[C@@H](/C=C\1)O2
InChIInChI=1S/C9H8O2/c10-7-1-3-8-5-6-9(11-8)4-2-7/h1-6,8-9H/b3-1-,4-2-/t8-,9+
InChIKeyBEMMGZPBCCMIAI-KHAXVWIQSA-N
XLogP1.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2Z,5Z,7S)-10-oxabicyclo[5.2.1]deca-2,5,8-trien-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2Z,5Z,7S)-10-oxabicyclo[5.2.1]deca-2,5,8-trien-4-one?
The IUPAC name of (1R,2Z,5Z,7S)-10-oxabicyclo[5.2.1]deca-2,5,8-trien-4-one (CID 164668670) is (1R,2Z,5Z,7S)-10-oxabicyclo[5.2.1]deca-2,5,8-trien-4-one.
What is the SMILES notation for (1R,2Z,5Z,7S)-10-oxabicyclo[5.2.1]deca-2,5,8-trien-4-one?
The canonical SMILES for (1R,2Z,5Z,7S)-10-oxabicyclo[5.2.1]deca-2,5,8-trien-4-one is O=C1/C=C\[C@H]2C=C[C@@H](/C=C\1)O2.
What is the InChIKey of (1R,2Z,5Z,7S)-10-oxabicyclo[5.2.1]deca-2,5,8-trien-4-one?
The InChIKey is BEMMGZPBCCMIAI-KHAXVWIQSA-N. The full InChI is InChI=1S/C9H8O2/c10-7-1-3-8-5-6-9(11-8)4-2-7/h1-6,8-9H/b3-1-,4-2-/t8-,9+.
What are the key properties of (1R,2Z,5Z,7S)-10-oxabicyclo[5.2.1]deca-2,5,8-trien-4-one?
(1R,2Z,5Z,7S)-10-oxabicyclo[5.2.1]deca-2,5,8-trien-4-one has a molecular weight of 148.16 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2Z,5Z,7S)-10-oxabicyclo[5.2.1]deca-2,5,8-trien-4-one is sourced from PubChem (CID 164668670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).