(1S,4S)-5-oxabicyclo[2.1.0]pentane

C4H6O — CID 98125749

IUPAC(1S,4S)-5-oxabicyclo[2.1.0]pentane
SMILESC1C[C@@H]2O[C@@H]12
InChIInChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4-/m0/s1
InChIKeyBIMXFPIWUWKRHY-IMJSIDKUSA-N
MW70.09 g/mol
LogP0.55
Rot. Bonds

About (1S,4S)-5-oxabicyclo[2.1.0]pentane

(1S,4S)-5-oxabicyclo[2.1.0]pentane (PubChem CID 98125749) has the molecular formula C4H6O and a molecular weight of 70.09 g/mol. Its IUPAC name is (1S,4S)-5-oxabicyclo[2.1.0]pentane.

Molecular Properties

Compound Name(1S,4S)-5-oxabicyclo[2.1.0]pentane
PubChem CID98125749
Molecular FormulaC4H6O
Molecular Weight70.09 g/mol
Exact Mass70.04
IUPAC Name(1S,4S)-5-oxabicyclo[2.1.0]pentane
SMILESC1C[C@@H]2O[C@@H]12
InChIInChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4-/m0/s1
InChIKeyBIMXFPIWUWKRHY-IMJSIDKUSA-N
XLogP0.55
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.09
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750
(1S,6R)-7-oxabicyclo[4.1.0]heptane
CID 637978
4-methyl-8-oxabicyclo[5.1.0]octane
CID 45120447
(1R,4R,5R,8R)-4,5-dibromo-9-oxabicyclo[6.1.0]nonane
CID 98553985
4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane
CID 21344282
(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 122419523
3,8-dioxatricyclo[3.2.1.02,4]octane
CID 15647432
7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 88907444
25-oxabicyclo[22.1.0]pentacosane
CID 156633217
3-cyclopropyl-7-oxabicyclo[4.1.0]heptane
CID 88535344
(1R,4R,6S,9S)-10-bromo-5-oxatricyclo[7.1.0.04,6]decane
CID 13003783

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-5-oxabicyclo[2.1.0]pentane?
The IUPAC name of (1S,4S)-5-oxabicyclo[2.1.0]pentane (CID 98125749) is (1S,4S)-5-oxabicyclo[2.1.0]pentane.
What is the SMILES notation for (1S,4S)-5-oxabicyclo[2.1.0]pentane?
The canonical SMILES for (1S,4S)-5-oxabicyclo[2.1.0]pentane is C1C[C@@H]2O[C@@H]12.
What is the InChIKey of (1S,4S)-5-oxabicyclo[2.1.0]pentane?
The InChIKey is BIMXFPIWUWKRHY-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4-/m0/s1.
What are the key properties of (1S,4S)-5-oxabicyclo[2.1.0]pentane?
(1S,4S)-5-oxabicyclo[2.1.0]pentane has a molecular weight of 70.09 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-5-oxabicyclo[2.1.0]pentane is sourced from PubChem (CID 98125749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).