[(E)-3-(1-ethoxyethoxy)-1-iodopent-1-en-3-yl]cyclobutane

C13H23IO2 — CID 88783077

IUPAC[(E)-3-(1-ethoxyethoxy)-1-iodopent-1-en-3-yl]cyclobutane
SMILESCCOC(C)OC(/C=C/I)(CC)C1CCC1
InChIInChI=1S/C13H23IO2/c1-4-13(9-10-14,12-7-6-8-12)16-11(3)15-5-2/h9-12H,4-8H2,1-3H3/b10-9+
InChIKeyZEEDTKYNTGBVNF-MDZDMXLPSA-N
MW338.23 g/mol
LogP4.28
Rot. Bonds7

About [(E)-3-(1-ethoxyethoxy)-1-iodopent-1-en-3-yl]cyclobutane

[(E)-3-(1-ethoxyethoxy)-1-iodopent-1-en-3-yl]cyclobutane (PubChem CID 88783077) has the molecular formula C13H23IO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is [(E)-3-(1-ethoxyethoxy)-1-iodopent-1-en-3-yl]cyclobutane.

Molecular Properties

Compound Name[(E)-3-(1-ethoxyethoxy)-1-iodopent-1-en-3-yl]cyclobutane
PubChem CID88783077
Molecular FormulaC13H23IO2
Molecular Weight338.23 g/mol
Exact Mass338.07
IUPAC Name[(E)-3-(1-ethoxyethoxy)-1-iodopent-1-en-3-yl]cyclobutane
SMILESCCOC(C)OC(/C=C/I)(CC)C1CCC1
InChIInChI=1S/C13H23IO2/c1-4-13(9-10-14,12-7-6-8-12)16-11(3)15-5-2/h9-12H,4-8H2,1-3H3/b10-9+
InChIKeyZEEDTKYNTGBVNF-MDZDMXLPSA-N
XLogP4.28
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 ≤ 54.28
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 [(E)-3-(1-ethoxyethoxy)-1-iodopent-1-en-3-yl]cyclobutane?
The IUPAC name of [(E)-3-(1-ethoxyethoxy)-1-iodopent-1-en-3-yl]cyclobutane (CID 88783077) is [(E)-3-(1-ethoxyethoxy)-1-iodopent-1-en-3-yl]cyclobutane.
What is the SMILES notation for [(E)-3-(1-ethoxyethoxy)-1-iodopent-1-en-3-yl]cyclobutane?
The canonical SMILES for [(E)-3-(1-ethoxyethoxy)-1-iodopent-1-en-3-yl]cyclobutane is CCOC(C)OC(/C=C/I)(CC)C1CCC1.
What is the InChIKey of [(E)-3-(1-ethoxyethoxy)-1-iodopent-1-en-3-yl]cyclobutane?
The InChIKey is ZEEDTKYNTGBVNF-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H23IO2/c1-4-13(9-10-14,12-7-6-8-12)16-11(3)15-5-2/h9-12H,4-8H2,1-3H3/b10-9+.
What are the key properties of [(E)-3-(1-ethoxyethoxy)-1-iodopent-1-en-3-yl]cyclobutane?
[(E)-3-(1-ethoxyethoxy)-1-iodopent-1-en-3-yl]cyclobutane has a molecular weight of 338.23 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(1-ethoxyethoxy)-1-iodopent-1-en-3-yl]cyclobutane is sourced from PubChem (CID 88783077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).