1-[(E)-3-(1-ethoxyethoxy)-1-iodoprop-1-en-2-yl]-3-ethylcyclobutane

C13H23IO2 — CID 22812183

IUPAC1-[(E)-3-(1-ethoxyethoxy)-1-iodoprop-1-en-2-yl]-3-ethylcyclobutane
SMILESCCOC(C)OC/C(=C/I)C1CC(CC)C1
InChIInChI=1S/C13H23IO2/c1-4-11-6-12(7-11)13(8-14)9-16-10(3)15-5-2/h8,10-12H,4-7,9H2,1-3H3/b13-8-
InChIKeyWBZYKVSTOQOLCK-JYRVWZFOSA-N
MW338.23 g/mol
LogP4.14
Rot. Bonds7

About 1-[(E)-3-(1-ethoxyethoxy)-1-iodoprop-1-en-2-yl]-3-ethylcyclobutane

1-[(E)-3-(1-ethoxyethoxy)-1-iodoprop-1-en-2-yl]-3-ethylcyclobutane (PubChem CID 22812183) has the molecular formula C13H23IO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 1-[(E)-3-(1-ethoxyethoxy)-1-iodoprop-1-en-2-yl]-3-ethylcyclobutane.

Molecular Properties

Compound Name1-[(E)-3-(1-ethoxyethoxy)-1-iodoprop-1-en-2-yl]-3-ethylcyclobutane
PubChem CID22812183
Molecular FormulaC13H23IO2
Molecular Weight338.23 g/mol
Exact Mass338.07
IUPAC Name1-[(E)-3-(1-ethoxyethoxy)-1-iodoprop-1-en-2-yl]-3-ethylcyclobutane
SMILESCCOC(C)OC/C(=C/I)C1CC(CC)C1
InChIInChI=1S/C13H23IO2/c1-4-11-6-12(7-11)13(8-14)9-16-10(3)15-5-2/h8,10-12H,4-7,9H2,1-3H3/b13-8-
InChIKeyWBZYKVSTOQOLCK-JYRVWZFOSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(1-ethoxyethoxy)-1-iodoprop-1-en-2-yl]-3-ethylcyclobutane?
The IUPAC name of 1-[(E)-3-(1-ethoxyethoxy)-1-iodoprop-1-en-2-yl]-3-ethylcyclobutane (CID 22812183) is 1-[(E)-3-(1-ethoxyethoxy)-1-iodoprop-1-en-2-yl]-3-ethylcyclobutane.
What is the SMILES notation for 1-[(E)-3-(1-ethoxyethoxy)-1-iodoprop-1-en-2-yl]-3-ethylcyclobutane?
The canonical SMILES for 1-[(E)-3-(1-ethoxyethoxy)-1-iodoprop-1-en-2-yl]-3-ethylcyclobutane is CCOC(C)OC/C(=C/I)C1CC(CC)C1.
What is the InChIKey of 1-[(E)-3-(1-ethoxyethoxy)-1-iodoprop-1-en-2-yl]-3-ethylcyclobutane?
The InChIKey is WBZYKVSTOQOLCK-JYRVWZFOSA-N. The full InChI is InChI=1S/C13H23IO2/c1-4-11-6-12(7-11)13(8-14)9-16-10(3)15-5-2/h8,10-12H,4-7,9H2,1-3H3/b13-8-.
What are the key properties of 1-[(E)-3-(1-ethoxyethoxy)-1-iodoprop-1-en-2-yl]-3-ethylcyclobutane?
1-[(E)-3-(1-ethoxyethoxy)-1-iodoprop-1-en-2-yl]-3-ethylcyclobutane has a molecular weight of 338.23 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(1-ethoxyethoxy)-1-iodoprop-1-en-2-yl]-3-ethylcyclobutane is sourced from PubChem (CID 22812183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).