1-(2-cyclopentyloxyethoxy)-1-(iodomethyl)cyclopentane

C13H23IO2 — CID 165489183

IUPAC1-(2-cyclopentyloxyethoxy)-1-(iodomethyl)cyclopentane
SMILESICC1(OCCOC2CCCC2)CCCC1
InChIInChI=1S/C13H23IO2/c14-11-13(7-3-4-8-13)16-10-9-15-12-5-1-2-6-12/h12H,1-11H2
InChIKeyZJTGCMGGBIMKNU-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.71
Rot. Bonds6

About 1-(2-cyclopentyloxyethoxy)-1-(iodomethyl)cyclopentane

1-(2-cyclopentyloxyethoxy)-1-(iodomethyl)cyclopentane (PubChem CID 165489183) has the molecular formula C13H23IO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 1-(2-cyclopentyloxyethoxy)-1-(iodomethyl)cyclopentane.

Molecular Properties

Compound Name1-(2-cyclopentyloxyethoxy)-1-(iodomethyl)cyclopentane
PubChem CID165489183
Molecular FormulaC13H23IO2
Molecular Weight338.23 g/mol
Exact Mass338.07
IUPAC Name1-(2-cyclopentyloxyethoxy)-1-(iodomethyl)cyclopentane
SMILESICC1(OCCOC2CCCC2)CCCC1
InChIInChI=1S/C13H23IO2/c14-11-13(7-3-4-8-13)16-10-9-15-12-5-1-2-6-12/h12H,1-11H2
InChIKeyZJTGCMGGBIMKNU-UHFFFAOYSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.71
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-cyclopentyloxyethoxy)-1-(iodomethyl)cyclopentane?
The IUPAC name of 1-(2-cyclopentyloxyethoxy)-1-(iodomethyl)cyclopentane (CID 165489183) is 1-(2-cyclopentyloxyethoxy)-1-(iodomethyl)cyclopentane.
What is the SMILES notation for 1-(2-cyclopentyloxyethoxy)-1-(iodomethyl)cyclopentane?
The canonical SMILES for 1-(2-cyclopentyloxyethoxy)-1-(iodomethyl)cyclopentane is ICC1(OCCOC2CCCC2)CCCC1.
What is the InChIKey of 1-(2-cyclopentyloxyethoxy)-1-(iodomethyl)cyclopentane?
The InChIKey is ZJTGCMGGBIMKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23IO2/c14-11-13(7-3-4-8-13)16-10-9-15-12-5-1-2-6-12/h12H,1-11H2.
What are the key properties of 1-(2-cyclopentyloxyethoxy)-1-(iodomethyl)cyclopentane?
1-(2-cyclopentyloxyethoxy)-1-(iodomethyl)cyclopentane has a molecular weight of 338.23 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyloxyethoxy)-1-(iodomethyl)cyclopentane is sourced from PubChem (CID 165489183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).