(1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one

C7H8O2 — CID 130764589

IUPAC(1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one
SMILESO=C1CC[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C7H8O2/c8-6-3-1-5-2-4-7(6)9-5/h2,4-5,7H,1,3H2/t5-,7-/m1/s1
InChIKeyBFQDYHKGEHODQT-IYSWYEEDSA-N
MW124.14 g/mol
LogP0.67
Rot. Bonds

About (1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one

(1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one (PubChem CID 130764589) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is (1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one.

Molecular Properties

Compound Name(1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one
PubChem CID130764589
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name(1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one
SMILESO=C1CC[C@@H]2C=C[C@H]1O2
InChIInChI=1S/C7H8O2/c8-6-3-1-5-2-4-7(6)9-5/h2,4-5,7H,1,3H2/t5-,7-/m1/s1
InChIKeyBFQDYHKGEHODQT-IYSWYEEDSA-N
XLogP0.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.67
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

8-Oxabicyclo[3.2.1]oct-6-en-3-one
CID 557672
9-Oxabicyclo(3.3.1)non-6-en-2-one
CID 557027
(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 5325223
8-Oxabicyclo[3.2.1]oct-6-en-2-one
CID 66846074
8-Oxabicyclo[3.2.1]oct-6-en-3-one;yttrium
CID 135045719
2-[(E)-hex-1-enyl]oxan-3-one
CID 10965158
9-Oxabicyclo(3.3.1)non-6-en-2-one, (1R)-
CID 130995371
(1R,5R)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione
CID 59445918
8-Oxa-bicyclo[3.2.1]oct-6-ene-2,4-dione
CID 66602031
(1R*,5S*)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione
CID 67523953
1-Methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione
CID 67532567
4,5,8,9a-Tetrahydroindeno[2,1-b]pyran-3-one
CID 70064291

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one?
The IUPAC name of (1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one (CID 130764589) is (1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one.
What is the SMILES notation for (1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one?
The canonical SMILES for (1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one is O=C1CC[C@@H]2C=C[C@H]1O2.
What is the InChIKey of (1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one?
The InChIKey is BFQDYHKGEHODQT-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H8O2/c8-6-3-1-5-2-4-7(6)9-5/h2,4-5,7H,1,3H2/t5-,7-/m1/s1.
What are the key properties of (1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one?
(1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one has a molecular weight of 124.14 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one is sourced from PubChem (CID 130764589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).