3-(1-ethoxy-2-iodoethoxy)-1-methylcyclopentene

C10H17IO2 — CID 166569635

IUPAC3-(1-ethoxy-2-iodoethoxy)-1-methylcyclopentene
SMILESCCOC(CI)OC1C=C(C)CC1
InChIInChI=1S/C10H17IO2/c1-3-12-10(7-11)13-9-5-4-8(2)6-9/h6,9-10H,3-5,7H2,1-2H3
InChIKeyYEOBAUCAQHBKNS-UHFFFAOYSA-N
MW296.15 g/mol
LogP2.91
Rot. Bonds5

About 3-(1-ethoxy-2-iodoethoxy)-1-methylcyclopentene

3-(1-ethoxy-2-iodoethoxy)-1-methylcyclopentene (PubChem CID 166569635) has the molecular formula C10H17IO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 3-(1-ethoxy-2-iodoethoxy)-1-methylcyclopentene.

Molecular Properties

Compound Name3-(1-ethoxy-2-iodoethoxy)-1-methylcyclopentene
PubChem CID166569635
Molecular FormulaC10H17IO2
Molecular Weight296.15 g/mol
Exact Mass296.03
IUPAC Name3-(1-ethoxy-2-iodoethoxy)-1-methylcyclopentene
SMILESCCOC(CI)OC1C=C(C)CC1
InChIInChI=1S/C10H17IO2/c1-3-12-10(7-11)13-9-5-4-8(2)6-9/h6,9-10H,3-5,7H2,1-2H3
InChIKeyYEOBAUCAQHBKNS-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 52.91
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-(1-ethoxy-2-iodoethoxy)-1-methylcyclopentene?
The IUPAC name of 3-(1-ethoxy-2-iodoethoxy)-1-methylcyclopentene (CID 166569635) is 3-(1-ethoxy-2-iodoethoxy)-1-methylcyclopentene.
What is the SMILES notation for 3-(1-ethoxy-2-iodoethoxy)-1-methylcyclopentene?
The canonical SMILES for 3-(1-ethoxy-2-iodoethoxy)-1-methylcyclopentene is CCOC(CI)OC1C=C(C)CC1.
What is the InChIKey of 3-(1-ethoxy-2-iodoethoxy)-1-methylcyclopentene?
The InChIKey is YEOBAUCAQHBKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IO2/c1-3-12-10(7-11)13-9-5-4-8(2)6-9/h6,9-10H,3-5,7H2,1-2H3.
What are the key properties of 3-(1-ethoxy-2-iodoethoxy)-1-methylcyclopentene?
3-(1-ethoxy-2-iodoethoxy)-1-methylcyclopentene has a molecular weight of 296.15 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxy-2-iodoethoxy)-1-methylcyclopentene is sourced from PubChem (CID 166569635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).