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

C7H8O3 — CID 45120350

IUPAC(1R)-1-(methoxymethyl)-6-oxabicyclo[3.1.0]hex-3-en-2-one
SMILESCOC[C@@]12OC1C=CC2=O
InChIInChI=1S/C7H8O3/c1-9-4-7-5(8)2-3-6(7)10-7/h2-3,6H,4H2,1H3/t6?,7-/m0/s1
InChIKeyQPSBYLIABBKBPK-MLWJPKLSSA-N
MW140.14 g/mol
LogP-0.09
Rot. Bonds2

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

(1R)-1-(methoxymethyl)-6-oxabicyclo[3.1.0]hex-3-en-2-one (PubChem CID 45120350) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (1R)-1-(methoxymethyl)-6-oxabicyclo[3.1.0]hex-3-en-2-one.

Molecular Properties

Compound Name(1R)-1-(methoxymethyl)-6-oxabicyclo[3.1.0]hex-3-en-2-one
PubChem CID45120350
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(1R)-1-(methoxymethyl)-6-oxabicyclo[3.1.0]hex-3-en-2-one
SMILESCOC[C@@]12OC1C=CC2=O
InChIInChI=1S/C7H8O3/c1-9-4-7-5(8)2-3-6(7)10-7/h2-3,6H,4H2,1H3/t6?,7-/m0/s1
InChIKeyQPSBYLIABBKBPK-MLWJPKLSSA-N
XLogP-0.09
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.09
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

[(1S,5R)-5-acetyloxy-5-(methoxymethyl)-4-oxocyclopent-2-en-1-yl] acetate
CID 23255408
1,3-Dimethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one
CID 71370339
4,5-Bis[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 10176914
6-Oxabicyclo[3.1.0]hex-3-en-2-one
CID 13253262
4,5-Dimethoxycyclopent-2-en-1-one
CID 18736372
(1S,5S)-1,3-dimethyl-6-oxabicyclo[3.1.0]hex-3-en-2-one
CID 10374460
[(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
(1R,5R)-6-oxabicyclo[3.1.0]hex-3-en-2-one
CID 13253263
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

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(methoxymethyl)-6-oxabicyclo[3.1.0]hex-3-en-2-one?
The IUPAC name of (1R)-1-(methoxymethyl)-6-oxabicyclo[3.1.0]hex-3-en-2-one (CID 45120350) is (1R)-1-(methoxymethyl)-6-oxabicyclo[3.1.0]hex-3-en-2-one.
What is the SMILES notation for (1R)-1-(methoxymethyl)-6-oxabicyclo[3.1.0]hex-3-en-2-one?
The canonical SMILES for (1R)-1-(methoxymethyl)-6-oxabicyclo[3.1.0]hex-3-en-2-one is COC[C@@]12OC1C=CC2=O.
What is the InChIKey of (1R)-1-(methoxymethyl)-6-oxabicyclo[3.1.0]hex-3-en-2-one?
The InChIKey is QPSBYLIABBKBPK-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H8O3/c1-9-4-7-5(8)2-3-6(7)10-7/h2-3,6H,4H2,1H3/t6?,7-/m0/s1.
What are the key properties of (1R)-1-(methoxymethyl)-6-oxabicyclo[3.1.0]hex-3-en-2-one?
(1R)-1-(methoxymethyl)-6-oxabicyclo[3.1.0]hex-3-en-2-one has a molecular weight of 140.14 g/mol, XLogP of -0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(methoxymethyl)-6-oxabicyclo[3.1.0]hex-3-en-2-one is sourced from PubChem (CID 45120350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).