(1S,2R,5S)-2-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one

C7H8O3 — CID 134983331

IUPAC(1S,2R,5S)-2-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESO=C1C[C@H]2C=C[C@H](O2)[C@H]1O
InChIInChI=1S/C7H8O3/c8-5-3-4-1-2-6(10-4)7(5)9/h1-2,4,6-7,9H,3H2/t4-,6+,7+/m1/s1
InChIKeyIPBIXUHHUFRZTN-PIYBLCFFSA-N
MW140.14 g/mol
LogP-0.36
Rot. Bonds

About (1S,2R,5S)-2-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one

(1S,2R,5S)-2-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one (PubChem CID 134983331) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (1S,2R,5S)-2-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one.

Molecular Properties

Compound Name(1S,2R,5S)-2-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
PubChem CID134983331
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(1S,2R,5S)-2-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESO=C1C[C@H]2C=C[C@H](O2)[C@H]1O
InChIInChI=1S/C7H8O3/c8-5-3-4-1-2-6(10-4)7(5)9/h1-2,4,6-7,9H,3H2/t4-,6+,7+/m1/s1
InChIKeyIPBIXUHHUFRZTN-PIYBLCFFSA-N
XLogP-0.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,5R)-2-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 10796828
(1S,4R,5S)-4-hydroxy-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 130765244
(1S,2S,5S)-2-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 130946808
(1S,2R,5S)-2-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 130992538
2-Hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-one
CID 130995374
(1S,2S,5S)-2-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 133679533
(1S,4S,5S)-4-hydroxy-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 134897876
2-Hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 12921400
Fghfqaionfdxij-dtlfhodzsa-
CID 21575728
Fghfqaionfdxij-mhsyxaovsa-
CID 21575729
2-Methoxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 14169621
8-Oxabicyclo[3.2.1]oct-6-en-2-ol
CID 130127599

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S)-2-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The IUPAC name of (1S,2R,5S)-2-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one (CID 134983331) is (1S,2R,5S)-2-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one.
What is the SMILES notation for (1S,2R,5S)-2-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The canonical SMILES for (1S,2R,5S)-2-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one is O=C1C[C@H]2C=C[C@H](O2)[C@H]1O.
What is the InChIKey of (1S,2R,5S)-2-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The InChIKey is IPBIXUHHUFRZTN-PIYBLCFFSA-N. The full InChI is InChI=1S/C7H8O3/c8-5-3-4-1-2-6(10-4)7(5)9/h1-2,4,6-7,9H,3H2/t4-,6+,7+/m1/s1.
What are the key properties of (1S,2R,5S)-2-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one?
(1S,2R,5S)-2-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one has a molecular weight of 140.14 g/mol, XLogP of -0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S)-2-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-one is sourced from PubChem (CID 134983331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).