2-[(E)-1-cyclohexyl-3-iodoprop-2-enoxy]oxane

C14H23IO2 — CID 88794922

IUPAC2-[(E)-1-cyclohexyl-3-iodoprop-2-enoxy]oxane
SMILESI/C=C/C(OC1CCCCO1)C1CCCCC1
InChIInChI=1S/C14H23IO2/c15-10-9-13(12-6-2-1-3-7-12)17-14-8-4-5-11-16-14/h9-10,12-14H,1-8,11H2/b10-9+
InChIKeyJGHGACVOLRHJQX-MDZDMXLPSA-N
MW350.24 g/mol
LogP4.43
Rot. Bonds4

About 2-[(E)-1-cyclohexyl-3-iodoprop-2-enoxy]oxane

2-[(E)-1-cyclohexyl-3-iodoprop-2-enoxy]oxane (PubChem CID 88794922) has the molecular formula C14H23IO2 and a molecular weight of 350.24 g/mol. Its IUPAC name is 2-[(E)-1-cyclohexyl-3-iodoprop-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-1-cyclohexyl-3-iodoprop-2-enoxy]oxane
PubChem CID88794922
Molecular FormulaC14H23IO2
Molecular Weight350.24 g/mol
Exact Mass350.07
IUPAC Name2-[(E)-1-cyclohexyl-3-iodoprop-2-enoxy]oxane
SMILESI/C=C/C(OC1CCCCO1)C1CCCCC1
InChIInChI=1S/C14H23IO2/c15-10-9-13(12-6-2-1-3-7-12)17-14-8-4-5-11-16-14/h9-10,12-14H,1-8,11H2/b10-9+
InChIKeyJGHGACVOLRHJQX-MDZDMXLPSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-cyclohexyl-3-iodoprop-2-enoxy]oxane?
The IUPAC name of 2-[(E)-1-cyclohexyl-3-iodoprop-2-enoxy]oxane (CID 88794922) is 2-[(E)-1-cyclohexyl-3-iodoprop-2-enoxy]oxane.
What is the SMILES notation for 2-[(E)-1-cyclohexyl-3-iodoprop-2-enoxy]oxane?
The canonical SMILES for 2-[(E)-1-cyclohexyl-3-iodoprop-2-enoxy]oxane is I/C=C/C(OC1CCCCO1)C1CCCCC1.
What is the InChIKey of 2-[(E)-1-cyclohexyl-3-iodoprop-2-enoxy]oxane?
The InChIKey is JGHGACVOLRHJQX-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H23IO2/c15-10-9-13(12-6-2-1-3-7-12)17-14-8-4-5-11-16-14/h9-10,12-14H,1-8,11H2/b10-9+.
What are the key properties of 2-[(E)-1-cyclohexyl-3-iodoprop-2-enoxy]oxane?
2-[(E)-1-cyclohexyl-3-iodoprop-2-enoxy]oxane has a molecular weight of 350.24 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-cyclohexyl-3-iodoprop-2-enoxy]oxane is sourced from PubChem (CID 88794922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).