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

C11H14O2 — CID 21393576

IUPAC1-(2-ethoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESC=C(CC12C=CC=CC1O2)OCC
InChIInChI=1S/C11H14O2/c1-3-12-9(2)8-11-7-5-4-6-10(11)13-11/h4-7,10H,2-3,8H2,1H3
InChIKeyOGJYHJQGNDIHDY-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.19
Rot. Bonds4

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

1-(2-ethoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 21393576) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(2-ethoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name1-(2-ethoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
PubChem CID21393576
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-(2-ethoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene
SMILESC=C(CC12C=CC=CC1O2)OCC
InChIInChI=1S/C11H14O2/c1-3-12-9(2)8-11-7-5-4-6-10(11)13-11/h4-7,10H,2-3,8H2,1H3
InChIKeyOGJYHJQGNDIHDY-UHFFFAOYSA-N
XLogP2.19
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.19
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-(2-ethoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 1-(2-ethoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene (CID 21393576) is 1-(2-ethoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 1-(2-ethoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 1-(2-ethoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene is C=C(CC12C=CC=CC1O2)OCC.
What is the InChIKey of 1-(2-ethoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is OGJYHJQGNDIHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-12-9(2)8-11-7-5-4-6-10(11)13-11/h4-7,10H,2-3,8H2,1H3.
What are the key properties of 1-(2-ethoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene?
1-(2-ethoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 178.23 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyprop-2-enyl)-7-oxabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 21393576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).