3-(2-iodo-1-methoxyethoxy)-1,5,5-trimethylcyclopentene

C11H19IO2 — CID 166569640

IUPAC3-(2-iodo-1-methoxyethoxy)-1,5,5-trimethylcyclopentene
SMILESCOC(CI)OC1C=C(C)C(C)(C)C1
InChIInChI=1S/C11H19IO2/c1-8-5-9(6-11(8,2)3)14-10(7-12)13-4/h5,9-10H,6-7H2,1-4H3
InChIKeyJWFQJXHZTQVABN-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.16
Rot. Bonds4

About 3-(2-iodo-1-methoxyethoxy)-1,5,5-trimethylcyclopentene

3-(2-iodo-1-methoxyethoxy)-1,5,5-trimethylcyclopentene (PubChem CID 166569640) has the molecular formula C11H19IO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 3-(2-iodo-1-methoxyethoxy)-1,5,5-trimethylcyclopentene.

Molecular Properties

Compound Name3-(2-iodo-1-methoxyethoxy)-1,5,5-trimethylcyclopentene
PubChem CID166569640
Molecular FormulaC11H19IO2
Molecular Weight310.18 g/mol
Exact Mass310.04
IUPAC Name3-(2-iodo-1-methoxyethoxy)-1,5,5-trimethylcyclopentene
SMILESCOC(CI)OC1C=C(C)C(C)(C)C1
InChIInChI=1S/C11H19IO2/c1-8-5-9(6-11(8,2)3)14-10(7-12)13-4/h5,9-10H,6-7H2,1-4H3
InChIKeyJWFQJXHZTQVABN-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.16
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 3-(2-iodo-1-methoxyethoxy)-1,5,5-trimethylcyclopentene?
The IUPAC name of 3-(2-iodo-1-methoxyethoxy)-1,5,5-trimethylcyclopentene (CID 166569640) is 3-(2-iodo-1-methoxyethoxy)-1,5,5-trimethylcyclopentene.
What is the SMILES notation for 3-(2-iodo-1-methoxyethoxy)-1,5,5-trimethylcyclopentene?
The canonical SMILES for 3-(2-iodo-1-methoxyethoxy)-1,5,5-trimethylcyclopentene is COC(CI)OC1C=C(C)C(C)(C)C1.
What is the InChIKey of 3-(2-iodo-1-methoxyethoxy)-1,5,5-trimethylcyclopentene?
The InChIKey is JWFQJXHZTQVABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IO2/c1-8-5-9(6-11(8,2)3)14-10(7-12)13-4/h5,9-10H,6-7H2,1-4H3.
What are the key properties of 3-(2-iodo-1-methoxyethoxy)-1,5,5-trimethylcyclopentene?
3-(2-iodo-1-methoxyethoxy)-1,5,5-trimethylcyclopentene has a molecular weight of 310.18 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodo-1-methoxyethoxy)-1,5,5-trimethylcyclopentene is sourced from PubChem (CID 166569640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).