1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane

C10H19IO3 — CID 114775120

IUPAC1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane
SMILESCOCCOCCOC1CCCC1I
InChIInChI=1S/C10H19IO3/c1-12-5-6-13-7-8-14-10-4-2-3-9(10)11/h9-10H,2-8H2,1H3
InChIKeyPOTFUYPZPMNFAN-UHFFFAOYSA-N
MW314.16 g/mol
LogP2.02
Rot. Bonds7

About 1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane

1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane (PubChem CID 114775120) has the molecular formula C10H19IO3 and a molecular weight of 314.16 g/mol. Its IUPAC name is 1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane.

Molecular Properties

Compound Name1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane
PubChem CID114775120
Molecular FormulaC10H19IO3
Molecular Weight314.16 g/mol
Exact Mass314.04
IUPAC Name1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane
SMILESCOCCOCCOC1CCCC1I
InChIInChI=1S/C10H19IO3/c1-12-5-6-13-7-8-14-10-4-2-3-9(10)11/h9-10H,2-8H2,1H3
InChIKeyPOTFUYPZPMNFAN-UHFFFAOYSA-N
XLogP2.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane
CID 104565568
trans-(1R,2R)-1-ethoxy-2-iodocyclopentane
CID 138481777
2-(2-methoxyethoxy)cyclopentan-1-amine
CID 43184183
1-methyl-3-[2-[2-[2-[2-(3-methyl-2-propan-2-ylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]-2-propan-2-ylcyclohexane
CID 90849412
N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine
CID 104560797
1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane
CID 114775044
CID 172826348
CID 172826348
2-(2-methoxyethoxy)cyclopentane-1-carbonitrile
CID 43292510
2-(2-methoxyethoxymethoxy)cyclopentan-1-ol
CID 71435255
1-(cyclobutylmethoxy)-2-iodocyclohexane
CID 165489873
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane?
The IUPAC name of 1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane (CID 114775120) is 1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane.
What is the SMILES notation for 1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane?
The canonical SMILES for 1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane is COCCOCCOC1CCCC1I.
What is the InChIKey of 1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane?
The InChIKey is POTFUYPZPMNFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IO3/c1-12-5-6-13-7-8-14-10-4-2-3-9(10)11/h9-10H,2-8H2,1H3.
What are the key properties of 1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane?
1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane has a molecular weight of 314.16 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane is sourced from PubChem (CID 114775120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).