(1R,5R)-1-(methoxymethyl)-5-methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one

C8H10O3 — CID 14566553

IUPAC(1R,5R)-1-(methoxymethyl)-5-methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one
SMILESCOC[C@@]12O[C@]1(C)C=CC2=O
InChIInChI=1S/C8H10O3/c1-7-4-3-6(9)8(7,11-7)5-10-2/h3-4H,5H2,1-2H3/t7-,8+/m1/s1
InChIKeyIWWIJUOOXLPWTK-SFYZADRCSA-N
MW154.16 g/mol
LogP0.30
Rot. Bonds2

About (1R,5R)-1-(methoxymethyl)-5-methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one

(1R,5R)-1-(methoxymethyl)-5-methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one (PubChem CID 14566553) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (1R,5R)-1-(methoxymethyl)-5-methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one.

Molecular Properties

Compound Name(1R,5R)-1-(methoxymethyl)-5-methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one
PubChem CID14566553
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(1R,5R)-1-(methoxymethyl)-5-methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one
SMILESCOC[C@@]12O[C@]1(C)C=CC2=O
InChIInChI=1S/C8H10O3/c1-7-4-3-6(9)8(7,11-7)5-10-2/h3-4H,5H2,1-2H3/t7-,8+/m1/s1
InChIKeyIWWIJUOOXLPWTK-SFYZADRCSA-N
XLogP0.30
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3S,7S)-4-oxo-1-oxaspiro[2.4]hept-5-en-7-yl] acetate
CID 11240706
[(3R,7S)-4-oxo-1-oxaspiro[2.4]hept-5-en-7-yl] acetate
CID 11423805
1-(Methoxymethyl)-6-oxabicyclo[3.1.0]hex-3-en-2-one
CID 14566492
CID 14566493
CID 14566493
(1R,5R)-1-(ethoxymethyl)-6-oxabicyclo[3.1.0]hex-3-en-2-one
CID 14566500
5-Methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one
CID 14566517
(1R,5R)-5-methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one
CID 14566518
(1R,5R)-1-(propan-2-yloxymethyl)-6-oxabicyclo[3.1.0]hex-3-en-2-one
CID 14566545
(1R)-1-(methoxymethyl)-6-oxabicyclo[3.1.0]hex-3-en-2-one
CID 45120350
(4-Oxo-1-oxaspiro[2.4]hept-5-en-7-yl) acetate
CID 72765400
[(3R,7R)-4-oxo-1-oxaspiro[2.4]hept-5-en-7-yl] acetate
CID 102379783
[(3S,7R)-4-oxo-1-oxaspiro[2.4]hept-5-en-7-yl] acetate
CID 102379784

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1-(methoxymethyl)-5-methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one?
The IUPAC name of (1R,5R)-1-(methoxymethyl)-5-methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one (CID 14566553) is (1R,5R)-1-(methoxymethyl)-5-methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one.
What is the SMILES notation for (1R,5R)-1-(methoxymethyl)-5-methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one?
The canonical SMILES for (1R,5R)-1-(methoxymethyl)-5-methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one is COC[C@@]12O[C@]1(C)C=CC2=O.
What is the InChIKey of (1R,5R)-1-(methoxymethyl)-5-methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one?
The InChIKey is IWWIJUOOXLPWTK-SFYZADRCSA-N. The full InChI is InChI=1S/C8H10O3/c1-7-4-3-6(9)8(7,11-7)5-10-2/h3-4H,5H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (1R,5R)-1-(methoxymethyl)-5-methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one?
(1R,5R)-1-(methoxymethyl)-5-methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one has a molecular weight of 154.16 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1-(methoxymethyl)-5-methyl-6-oxabicyclo[3.1.0]hex-3-en-2-one is sourced from PubChem (CID 14566553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).