1-methoxy-6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

C8H10O2 — CID 141357424

IUPAC1-methoxy-6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCOC12C=CC=CC1(C)O2
InChIInChI=1S/C8H10O2/c1-7-5-3-4-6-8(7,9-2)10-7/h3-6H,1-2H3
InChIKeyLVZGPYAQISVJSS-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.24
Rot. Bonds1

About 1-methoxy-6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene

1-methoxy-6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 141357424) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-methoxy-6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name1-methoxy-6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
PubChem CID141357424
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1-methoxy-6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCOC12C=CC=CC1(C)O2
InChIInChI=1S/C8H10O2/c1-7-5-3-4-6-8(7,9-2)10-7/h3-6H,1-2H3
InChIKeyLVZGPYAQISVJSS-UHFFFAOYSA-N
XLogP1.24
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 1-methoxy-6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene (CID 141357424) is 1-methoxy-6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 1-methoxy-6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 1-methoxy-6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is COC12C=CC=CC1(C)O2.
What is the InChIKey of 1-methoxy-6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is LVZGPYAQISVJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-7-5-3-4-6-8(7,9-2)10-7/h3-6H,1-2H3.
What are the key properties of 1-methoxy-6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene?
1-methoxy-6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 138.17 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 141357424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).