1-[2-(cyclobutylmethoxy)ethoxy]-1-(iodomethyl)cyclopentane

C13H23IO2 — CID 165489439

IUPAC1-[2-(cyclobutylmethoxy)ethoxy]-1-(iodomethyl)cyclopentane
SMILESICC1(OCCOCC2CCC2)CCCC1
InChIInChI=1S/C13H23IO2/c14-11-13(6-1-2-7-13)16-9-8-15-10-12-4-3-5-12/h12H,1-11H2
InChIKeyYPEOEMQEPPQEHY-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.57
Rot. Bonds7

About 1-[2-(cyclobutylmethoxy)ethoxy]-1-(iodomethyl)cyclopentane

1-[2-(cyclobutylmethoxy)ethoxy]-1-(iodomethyl)cyclopentane (PubChem CID 165489439) has the molecular formula C13H23IO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 1-[2-(cyclobutylmethoxy)ethoxy]-1-(iodomethyl)cyclopentane.

Molecular Properties

Compound Name1-[2-(cyclobutylmethoxy)ethoxy]-1-(iodomethyl)cyclopentane
PubChem CID165489439
Molecular FormulaC13H23IO2
Molecular Weight338.23 g/mol
Exact Mass338.07
IUPAC Name1-[2-(cyclobutylmethoxy)ethoxy]-1-(iodomethyl)cyclopentane
SMILESICC1(OCCOCC2CCC2)CCCC1
InChIInChI=1S/C13H23IO2/c14-11-13(6-1-2-7-13)16-9-8-15-10-12-4-3-5-12/h12H,1-11H2
InChIKeyYPEOEMQEPPQEHY-UHFFFAOYSA-N
XLogP3.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.57
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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Related Compounds

1-(2-cyclopentyloxyethoxy)-1-(iodomethyl)cyclopentane
CID 165489183
1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane
CID 114775131
4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane
CID 114774147
1-(2-cyclobutylethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane
CID 106204827
1-(2-butoxyethoxy)-1-(iodomethyl)-4-propylcyclohexane
CID 114773263
1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane
CID 114772593
4-(2-cyclobutyloxyethoxy)-4-(iodomethyl)oxane
CID 165493516
1-(cyclohexylmethoxy)-1-(iodomethyl)-4-propylcyclohexane
CID 114773990
1-heptoxy-1-(iodomethyl)cycloheptane
CID 114773223
2-[[1-(iodomethyl)cyclohexyl]oxymethyl]oxane
CID 114772663
4-tert-butyl-1-(iodomethyl)-1-[2-(2-methylpropoxy)ethoxy]cyclohexane
CID 106449091
[1-(cyclopentylmethoxy)cycloheptyl]methanamine
CID 65051749

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclobutylmethoxy)ethoxy]-1-(iodomethyl)cyclopentane?
The IUPAC name of 1-[2-(cyclobutylmethoxy)ethoxy]-1-(iodomethyl)cyclopentane (CID 165489439) is 1-[2-(cyclobutylmethoxy)ethoxy]-1-(iodomethyl)cyclopentane.
What is the SMILES notation for 1-[2-(cyclobutylmethoxy)ethoxy]-1-(iodomethyl)cyclopentane?
The canonical SMILES for 1-[2-(cyclobutylmethoxy)ethoxy]-1-(iodomethyl)cyclopentane is ICC1(OCCOCC2CCC2)CCCC1.
What is the InChIKey of 1-[2-(cyclobutylmethoxy)ethoxy]-1-(iodomethyl)cyclopentane?
The InChIKey is YPEOEMQEPPQEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23IO2/c14-11-13(6-1-2-7-13)16-9-8-15-10-12-4-3-5-12/h12H,1-11H2.
What are the key properties of 1-[2-(cyclobutylmethoxy)ethoxy]-1-(iodomethyl)cyclopentane?
1-[2-(cyclobutylmethoxy)ethoxy]-1-(iodomethyl)cyclopentane has a molecular weight of 338.23 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclobutylmethoxy)ethoxy]-1-(iodomethyl)cyclopentane is sourced from PubChem (CID 165489439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).