1-cyclobutyl-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane

C15H25IO2 — CID 23344515

IUPAC1-cyclobutyl-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane
SMILESCCOC(C)OC(/C=C/I)C1CC(C2CCC2)C1
InChIInChI=1S/C15H25IO2/c1-3-17-11(2)18-15(7-8-16)14-9-13(10-14)12-5-4-6-12/h7-8,11-15H,3-6,9-10H2,1-2H3/b8-7+
InChIKeyIVZAJRWEZVASFK-BQYQJAHWSA-N
MW364.27 g/mol
LogP4.53
Rot. Bonds7

About 1-cyclobutyl-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane

1-cyclobutyl-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane (PubChem CID 23344515) has the molecular formula C15H25IO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is 1-cyclobutyl-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane.

Molecular Properties

Compound Name1-cyclobutyl-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane
PubChem CID23344515
Molecular FormulaC15H25IO2
Molecular Weight364.27 g/mol
Exact Mass364.09
IUPAC Name1-cyclobutyl-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane
SMILESCCOC(C)OC(/C=C/I)C1CC(C2CCC2)C1
InChIInChI=1S/C15H25IO2/c1-3-17-11(2)18-15(7-8-16)14-9-13(10-14)12-5-4-6-12/h7-8,11-15H,3-6,9-10H2,1-2H3/b8-7+
InChIKeyIVZAJRWEZVASFK-BQYQJAHWSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.53
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-cyclobutyl-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane?
The IUPAC name of 1-cyclobutyl-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane (CID 23344515) is 1-cyclobutyl-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane.
What is the SMILES notation for 1-cyclobutyl-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane?
The canonical SMILES for 1-cyclobutyl-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane is CCOC(C)OC(/C=C/I)C1CC(C2CCC2)C1.
What is the InChIKey of 1-cyclobutyl-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane?
The InChIKey is IVZAJRWEZVASFK-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H25IO2/c1-3-17-11(2)18-15(7-8-16)14-9-13(10-14)12-5-4-6-12/h7-8,11-15H,3-6,9-10H2,1-2H3/b8-7+.
What are the key properties of 1-cyclobutyl-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane?
1-cyclobutyl-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane has a molecular weight of 364.27 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclobutane is sourced from PubChem (CID 23344515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).