(1S,5R)-8-oxabicyclo[3.2.1]oct-3-en-2-one

C7H8O2 — CID 53391482

IUPAC(1S,5R)-8-oxabicyclo[3.2.1]oct-3-en-2-one
SMILESO=C1C=C[C@H]2CC[C@@H]1O2
InChIInChI=1S/C7H8O2/c8-6-3-1-5-2-4-7(6)9-5/h1,3,5,7H,2,4H2/t5-,7-/m0/s1
InChIKeyVNOZQDGWZNTNOV-FSPLSTOPSA-N
MW124.14 g/mol
LogP0.67
Rot. Bonds

About (1S,5R)-8-oxabicyclo[3.2.1]oct-3-en-2-one

(1S,5R)-8-oxabicyclo[3.2.1]oct-3-en-2-one (PubChem CID 53391482) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is (1S,5R)-8-oxabicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name(1S,5R)-8-oxabicyclo[3.2.1]oct-3-en-2-one
PubChem CID53391482
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name(1S,5R)-8-oxabicyclo[3.2.1]oct-3-en-2-one
SMILESO=C1C=C[C@H]2CC[C@@H]1O2
InChIInChI=1S/C7H8O2/c8-6-3-1-5-2-4-7(6)9-5/h1,3,5,7H,2,4H2/t5-,7-/m0/s1
InChIKeyVNOZQDGWZNTNOV-FSPLSTOPSA-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

Analyze (1S,5R)-8-oxabicyclo[3.2.1]oct-3-en-2-one with MolForge

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Related Compounds

8-Oxabicyclo[3.2.1]oct-3-en-2-one
CID 57469482
(1R,5R,6R)-6-ethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 13031646
(7E)-7-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 102250742
3-(Silyloxy)-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 129736810
(1S,5S,6S)-6-methyl-6-prop-1-en-2-yl-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 130930473
1-Prop-2-ynyl-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 89568076
6-butyl-2H-pyran-5-one
CID 91468041
4-Ethoxycyclohept-2-en-1-one
CID 139985475
(1S,5R,7E)-7-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 11217441
6-Ethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 13031644
(1R,5S,6R)-6-ethoxy-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 13031645
6-Methyl-6-(prop-1-en-2-yl)-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 13031663

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-oxabicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of (1S,5R)-8-oxabicyclo[3.2.1]oct-3-en-2-one (CID 53391482) is (1S,5R)-8-oxabicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for (1S,5R)-8-oxabicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for (1S,5R)-8-oxabicyclo[3.2.1]oct-3-en-2-one is O=C1C=C[C@H]2CC[C@@H]1O2.
What is the InChIKey of (1S,5R)-8-oxabicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is VNOZQDGWZNTNOV-FSPLSTOPSA-N. The full InChI is InChI=1S/C7H8O2/c8-6-3-1-5-2-4-7(6)9-5/h1,3,5,7H,2,4H2/t5-,7-/m0/s1.
What are the key properties of (1S,5R)-8-oxabicyclo[3.2.1]oct-3-en-2-one?
(1S,5R)-8-oxabicyclo[3.2.1]oct-3-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 (1S,5R)-8-oxabicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 53391482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).