1-(1-ethoxyethoxy)-1-ethyl-3-iodo-3-prop-2-enylcyclobutane

C13H23IO2 — CID 57124155

IUPAC1-(1-ethoxyethoxy)-1-ethyl-3-iodo-3-prop-2-enylcyclobutane
SMILESC=CCC1(I)CC(CC)(OC(C)OCC)C1
InChIInChI=1S/C13H23IO2/c1-5-8-12(14)9-13(6-2,10-12)16-11(4)15-7-3/h5,11H,1,6-10H2,2-4H3
InChIKeyGSRPTYBCOPKHHC-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.08
Rot. Bonds7

About 1-(1-ethoxyethoxy)-1-ethyl-3-iodo-3-prop-2-enylcyclobutane

1-(1-ethoxyethoxy)-1-ethyl-3-iodo-3-prop-2-enylcyclobutane (PubChem CID 57124155) has the molecular formula C13H23IO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 1-(1-ethoxyethoxy)-1-ethyl-3-iodo-3-prop-2-enylcyclobutane.

Molecular Properties

Compound Name1-(1-ethoxyethoxy)-1-ethyl-3-iodo-3-prop-2-enylcyclobutane
PubChem CID57124155
Molecular FormulaC13H23IO2
Molecular Weight338.23 g/mol
Exact Mass338.07
IUPAC Name1-(1-ethoxyethoxy)-1-ethyl-3-iodo-3-prop-2-enylcyclobutane
SMILESC=CCC1(I)CC(CC)(OC(C)OCC)C1
InChIInChI=1S/C13H23IO2/c1-5-8-12(14)9-13(6-2,10-12)16-11(4)15-7-3/h5,11H,1,6-10H2,2-4H3
InChIKeyGSRPTYBCOPKHHC-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethoxy)-1-ethyl-3-iodo-3-prop-2-enylcyclobutane?
The IUPAC name of 1-(1-ethoxyethoxy)-1-ethyl-3-iodo-3-prop-2-enylcyclobutane (CID 57124155) is 1-(1-ethoxyethoxy)-1-ethyl-3-iodo-3-prop-2-enylcyclobutane.
What is the SMILES notation for 1-(1-ethoxyethoxy)-1-ethyl-3-iodo-3-prop-2-enylcyclobutane?
The canonical SMILES for 1-(1-ethoxyethoxy)-1-ethyl-3-iodo-3-prop-2-enylcyclobutane is C=CCC1(I)CC(CC)(OC(C)OCC)C1.
What is the InChIKey of 1-(1-ethoxyethoxy)-1-ethyl-3-iodo-3-prop-2-enylcyclobutane?
The InChIKey is GSRPTYBCOPKHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23IO2/c1-5-8-12(14)9-13(6-2,10-12)16-11(4)15-7-3/h5,11H,1,6-10H2,2-4H3.
What are the key properties of 1-(1-ethoxyethoxy)-1-ethyl-3-iodo-3-prop-2-enylcyclobutane?
1-(1-ethoxyethoxy)-1-ethyl-3-iodo-3-prop-2-enylcyclobutane has a molecular weight of 338.23 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethoxy)-1-ethyl-3-iodo-3-prop-2-enylcyclobutane is sourced from PubChem (CID 57124155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).