1-(3-methoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene

C10H12O2 — CID 86735268

IUPAC1-(3-methoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCOC=CCC12C=CC=CC1O2
InChIInChI=1S/C10H12O2/c1-11-8-4-7-10-6-3-2-5-9(10)12-10/h2-6,8-9H,7H2,1H3
InChIKeyGGLUSLZBEBRGNJ-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.80
Rot. Bonds3

About 1-(3-methoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene

1-(3-methoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 86735268) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-(3-methoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name1-(3-methoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
PubChem CID86735268
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name1-(3-methoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESCOC=CCC12C=CC=CC1O2
InChIInChI=1S/C10H12O2/c1-11-8-4-7-10-6-3-2-5-9(10)12-10/h2-6,8-9H,7H2,1H3
InChIKeyGGLUSLZBEBRGNJ-UHFFFAOYSA-N
XLogP1.80
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 1-(3-methoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene (CID 86735268) is 1-(3-methoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 1-(3-methoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 1-(3-methoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene is COC=CCC12C=CC=CC1O2.
What is the InChIKey of 1-(3-methoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is GGLUSLZBEBRGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-11-8-4-7-10-6-3-2-5-9(10)12-10/h2-6,8-9H,7H2,1H3.
What are the key properties of 1-(3-methoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
1-(3-methoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 164.20 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 86735268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).