1-[2-(cyclopropylmethoxy)ethoxy]-2-iodocyclopentane

C11H19IO2 — CID 165493523

IUPAC1-[2-(cyclopropylmethoxy)ethoxy]-2-iodocyclopentane
SMILESIC1CCCC1OCCOCC1CC1
InChIInChI=1S/C11H19IO2/c12-10-2-1-3-11(10)14-7-6-13-8-9-4-5-9/h9-11H,1-8H2
InChIKeyQUCXTZDZPSXQEQ-UHFFFAOYSA-N
MW310.18 g/mol
LogP2.79
Rot. Bonds6

About 1-[2-(cyclopropylmethoxy)ethoxy]-2-iodocyclopentane

1-[2-(cyclopropylmethoxy)ethoxy]-2-iodocyclopentane (PubChem CID 165493523) has the molecular formula C11H19IO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)ethoxy]-2-iodocyclopentane.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)ethoxy]-2-iodocyclopentane
PubChem CID165493523
Molecular FormulaC11H19IO2
Molecular Weight310.18 g/mol
Exact Mass310.04
IUPAC Name1-[2-(cyclopropylmethoxy)ethoxy]-2-iodocyclopentane
SMILESIC1CCCC1OCCOCC1CC1
InChIInChI=1S/C11H19IO2/c12-10-2-1-3-11(10)14-7-6-13-8-9-4-5-9/h9-11H,1-8H2
InChIKeyQUCXTZDZPSXQEQ-UHFFFAOYSA-N
XLogP2.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)ethoxy]-2-iodocyclopentane?
The IUPAC name of 1-[2-(cyclopropylmethoxy)ethoxy]-2-iodocyclopentane (CID 165493523) is 1-[2-(cyclopropylmethoxy)ethoxy]-2-iodocyclopentane.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)ethoxy]-2-iodocyclopentane?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)ethoxy]-2-iodocyclopentane is IC1CCCC1OCCOCC1CC1.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)ethoxy]-2-iodocyclopentane?
The InChIKey is QUCXTZDZPSXQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IO2/c12-10-2-1-3-11(10)14-7-6-13-8-9-4-5-9/h9-11H,1-8H2.
What are the key properties of 1-[2-(cyclopropylmethoxy)ethoxy]-2-iodocyclopentane?
1-[2-(cyclopropylmethoxy)ethoxy]-2-iodocyclopentane has a molecular weight of 310.18 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)ethoxy]-2-iodocyclopentane is sourced from PubChem (CID 165493523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).