[(E,1R)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane

C13H23IO2 — CID 88786704

IUPAC[(E,1R)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane
SMILESCCOC(C)O[C@@H](/C=C/I)C1CCCCC1
InChIInChI=1S/C13H23IO2/c1-3-15-11(2)16-13(9-10-14)12-7-5-4-6-8-12/h9-13H,3-8H2,1-2H3/b10-9+/t11?,13-/m0/s1
InChIKeyWJHVNTVKRLYJAC-VBMKITCXSA-N
MW338.23 g/mol
LogP4.28
Rot. Bonds6

About [(E,1R)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane

[(E,1R)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane (PubChem CID 88786704) has the molecular formula C13H23IO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is [(E,1R)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane.

Molecular Properties

Compound Name[(E,1R)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane
PubChem CID88786704
Molecular FormulaC13H23IO2
Molecular Weight338.23 g/mol
Exact Mass338.07
IUPAC Name[(E,1R)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane
SMILESCCOC(C)O[C@@H](/C=C/I)C1CCCCC1
InChIInChI=1S/C13H23IO2/c1-3-15-11(2)16-13(9-10-14)12-7-5-4-6-8-12/h9-13H,3-8H2,1-2H3/b10-9+/t11?,13-/m0/s1
InChIKeyWJHVNTVKRLYJAC-VBMKITCXSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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,1R)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane?
The IUPAC name of [(E,1R)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane (CID 88786704) is [(E,1R)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane.
What is the SMILES notation for [(E,1R)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane?
The canonical SMILES for [(E,1R)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane is CCOC(C)O[C@@H](/C=C/I)C1CCCCC1.
What is the InChIKey of [(E,1R)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane?
The InChIKey is WJHVNTVKRLYJAC-VBMKITCXSA-N. The full InChI is InChI=1S/C13H23IO2/c1-3-15-11(2)16-13(9-10-14)12-7-5-4-6-8-12/h9-13H,3-8H2,1-2H3/b10-9+/t11?,13-/m0/s1.
What are the key properties of [(E,1R)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane?
[(E,1R)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane has a molecular weight of 338.23 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,1R)-1-(1-ethoxyethoxy)-3-iodoprop-2-enyl]cyclohexane is sourced from PubChem (CID 88786704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).