6-(ethoxymethoxy)-1-iodocyclohexene

C9H15IO2 — CID 86034399

IUPAC6-(ethoxymethoxy)-1-iodocyclohexene
SMILESCCOCOC1CCCC=C1I
InChIInChI=1S/C9H15IO2/c1-2-11-7-12-9-6-4-3-5-8(9)10/h5,9H,2-4,6-7H2,1H3
InChIKeyZLOHGYUBTOWQFJ-UHFFFAOYSA-N
MW282.12 g/mol
LogP2.87
Rot. Bonds4

About 6-(ethoxymethoxy)-1-iodocyclohexene

6-(ethoxymethoxy)-1-iodocyclohexene (PubChem CID 86034399) has the molecular formula C9H15IO2 and a molecular weight of 282.12 g/mol. Its IUPAC name is 6-(ethoxymethoxy)-1-iodocyclohexene.

Molecular Properties

Compound Name6-(ethoxymethoxy)-1-iodocyclohexene
PubChem CID86034399
Molecular FormulaC9H15IO2
Molecular Weight282.12 g/mol
Exact Mass282.01
IUPAC Name6-(ethoxymethoxy)-1-iodocyclohexene
SMILESCCOCOC1CCCC=C1I
InChIInChI=1S/C9H15IO2/c1-2-11-7-12-9-6-4-3-5-8(9)10/h5,9H,2-4,6-7H2,1H3
InChIKeyZLOHGYUBTOWQFJ-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 6-(ethoxymethoxy)-1-iodocyclohexene?
The IUPAC name of 6-(ethoxymethoxy)-1-iodocyclohexene (CID 86034399) is 6-(ethoxymethoxy)-1-iodocyclohexene.
What is the SMILES notation for 6-(ethoxymethoxy)-1-iodocyclohexene?
The canonical SMILES for 6-(ethoxymethoxy)-1-iodocyclohexene is CCOCOC1CCCC=C1I.
What is the InChIKey of 6-(ethoxymethoxy)-1-iodocyclohexene?
The InChIKey is ZLOHGYUBTOWQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IO2/c1-2-11-7-12-9-6-4-3-5-8(9)10/h5,9H,2-4,6-7H2,1H3.
What are the key properties of 6-(ethoxymethoxy)-1-iodocyclohexene?
6-(ethoxymethoxy)-1-iodocyclohexene has a molecular weight of 282.12 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxymethoxy)-1-iodocyclohexene is sourced from PubChem (CID 86034399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).