1-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]-3-ethyl-1-methylcyclobutane

C14H25IO2 — CID 23344529

IUPAC1-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]-3-ethyl-1-methylcyclobutane
SMILESCCOC(C)OC(/C=C/I)C1(C)CC(CC)C1
InChIInChI=1S/C14H25IO2/c1-5-12-9-14(4,10-12)13(7-8-15)17-11(3)16-6-2/h7-8,11-13H,5-6,9-10H2,1-4H3/b8-7+
InChIKeyWPUBITMASUCROB-BQYQJAHWSA-N
MW352.26 g/mol
LogP4.53
Rot. Bonds7

About 1-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]-3-ethyl-1-methylcyclobutane

1-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]-3-ethyl-1-methylcyclobutane (PubChem CID 23344529) has the molecular formula C14H25IO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 1-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]-3-ethyl-1-methylcyclobutane.

Molecular Properties

Compound Name1-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]-3-ethyl-1-methylcyclobutane
PubChem CID23344529
Molecular FormulaC14H25IO2
Molecular Weight352.26 g/mol
Exact Mass352.09
IUPAC Name1-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]-3-ethyl-1-methylcyclobutane
SMILESCCOC(C)OC(/C=C/I)C1(C)CC(CC)C1
InChIInChI=1S/C14H25IO2/c1-5-12-9-14(4,10-12)13(7-8-15)17-11(3)16-6-2/h7-8,11-13H,5-6,9-10H2,1-4H3/b8-7+
InChIKeyWPUBITMASUCROB-BQYQJAHWSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
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-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]-3-ethyl-1-methylcyclobutane?
The IUPAC name of 1-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]-3-ethyl-1-methylcyclobutane (CID 23344529) is 1-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]-3-ethyl-1-methylcyclobutane.
What is the SMILES notation for 1-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]-3-ethyl-1-methylcyclobutane?
The canonical SMILES for 1-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]-3-ethyl-1-methylcyclobutane is CCOC(C)OC(/C=C/I)C1(C)CC(CC)C1.
What is the InChIKey of 1-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]-3-ethyl-1-methylcyclobutane?
The InChIKey is WPUBITMASUCROB-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H25IO2/c1-5-12-9-14(4,10-12)13(7-8-15)17-11(3)16-6-2/h7-8,11-13H,5-6,9-10H2,1-4H3/b8-7+.
What are the key properties of 1-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]-3-ethyl-1-methylcyclobutane?
1-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]-3-ethyl-1-methylcyclobutane has a molecular weight of 352.26 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-[(E)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]-3-ethyl-1-methylcyclobutane is sourced from PubChem (CID 23344529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).