(1S,2R,6S)-2-methoxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene

C8H12O2 — CID 59954480

IUPAC(1S,2R,6S)-2-methoxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene
SMILESCO[C@@H]1C=C(C)C[C@@H]2O[C@@H]21
InChIInChI=1S/C8H12O2/c1-5-3-6(9-2)8-7(4-5)10-8/h3,6-8H,4H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyVJGNCKCUXXIEJS-GJMOJQLCSA-N
MW140.18 g/mol
LogP1.12
Rot. Bonds1

About (1S,2R,6S)-2-methoxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene

(1S,2R,6S)-2-methoxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene (PubChem CID 59954480) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (1S,2R,6S)-2-methoxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene.

Molecular Properties

Compound Name(1S,2R,6S)-2-methoxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene
PubChem CID59954480
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(1S,2R,6S)-2-methoxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene
SMILESCO[C@@H]1C=C(C)C[C@@H]2O[C@@H]21
InChIInChI=1S/C8H12O2/c1-5-3-6(9-2)8-7(4-5)10-8/h3,6-8H,4H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyVJGNCKCUXXIEJS-GJMOJQLCSA-N
XLogP1.12
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,6S)-2-methoxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene with MolForge

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Related Compounds

methyl 5-methoxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
CID 20651772
4-methoxy-1,3-dimethylcyclopentene
CID 174381720
methyl (1S,5R,6S)-5-pentan-3-yloxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
CID 66524789
methyl 5-benzoyloxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
CID 23379220
(3R,4R,5S)-5-azido-3-methoxy-1,4-dimethylcyclohexene
CID 140651662
methyl (1R,5S,6S)-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
CID 91490383
ethyl (1S,5R,6R)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
CID 11694013
4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylic acid
CID 15200898
(3S,4R,5R)-5-methoxy-1,3,4-trimethylcyclohexene
CID 59954411
(3S)-1,3-dimethylcyclobutene
CID 58737300
(4-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-8-yl) acetate
CID 163048624
(3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 10241281

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S)-2-methoxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene?
The IUPAC name of (1S,2R,6S)-2-methoxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene (CID 59954480) is (1S,2R,6S)-2-methoxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene.
What is the SMILES notation for (1S,2R,6S)-2-methoxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene?
The canonical SMILES for (1S,2R,6S)-2-methoxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene is CO[C@@H]1C=C(C)C[C@@H]2O[C@@H]21.
What is the InChIKey of (1S,2R,6S)-2-methoxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene?
The InChIKey is VJGNCKCUXXIEJS-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H12O2/c1-5-3-6(9-2)8-7(4-5)10-8/h3,6-8H,4H2,1-2H3/t6-,7+,8-/m1/s1.
What are the key properties of (1S,2R,6S)-2-methoxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene?
(1S,2R,6S)-2-methoxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene has a molecular weight of 140.18 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S)-2-methoxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene is sourced from PubChem (CID 59954480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).