(1R,5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one

C8H10O2 — CID 10773041

IUPAC(1R,5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESC[C@]12C=C[C@H](CC(=O)C1)O2
InChIInChI=1S/C8H10O2/c1-8-3-2-7(10-8)4-6(9)5-8/h2-3,7H,4-5H2,1H3/t7-,8+/m1/s1
InChIKeyDAJAZTKOJHJNCO-SFYZADRCSA-N
MW138.17 g/mol
LogP1.06
Rot. Bonds

About (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one

(1R,5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one (PubChem CID 10773041) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one.

Molecular Properties

Compound Name(1R,5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
PubChem CID10773041
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(1R,5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESC[C@]12C=C[C@H](CC(=O)C1)O2
InChIInChI=1S/C8H10O2/c1-8-3-2-7(10-8)4-6(9)5-8/h2-3,7H,4-5H2,1H3/t7-,8+/m1/s1
InChIKeyDAJAZTKOJHJNCO-SFYZADRCSA-N
XLogP1.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.06
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 (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The IUPAC name of (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one (CID 10773041) is (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one.
What is the SMILES notation for (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The canonical SMILES for (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one is C[C@]12C=C[C@H](CC(=O)C1)O2.
What is the InChIKey of (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The InChIKey is DAJAZTKOJHJNCO-SFYZADRCSA-N. The full InChI is InChI=1S/C8H10O2/c1-8-3-2-7(10-8)4-6(9)5-8/h2-3,7H,4-5H2,1H3/t7-,8+/m1/s1.
What are the key properties of (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
(1R,5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one has a molecular weight of 138.17 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one is sourced from PubChem (CID 10773041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).