[1-chloro-5-(2-methoxyethoxy)pentyl]cyclopentane

C13H25ClO2 — CID 103411923

IUPAC[1-chloro-5-(2-methoxyethoxy)pentyl]cyclopentane
SMILESCOCCOCCCCC(Cl)C1CCCC1
InChIInChI=1S/C13H25ClO2/c1-15-10-11-16-9-5-4-8-13(14)12-6-2-3-7-12/h12-13H,2-11H2,1H3
InChIKeySKUHZDWHKZZYAX-UHFFFAOYSA-N
MW248.79 g/mol
LogP3.62
Rot. Bonds9

About [1-chloro-5-(2-methoxyethoxy)pentyl]cyclopentane

[1-chloro-5-(2-methoxyethoxy)pentyl]cyclopentane (PubChem CID 103411923) has the molecular formula C13H25ClO2 and a molecular weight of 248.79 g/mol. Its IUPAC name is [1-chloro-5-(2-methoxyethoxy)pentyl]cyclopentane.

Molecular Properties

Compound Name[1-chloro-5-(2-methoxyethoxy)pentyl]cyclopentane
PubChem CID103411923
Molecular FormulaC13H25ClO2
Molecular Weight248.79 g/mol
Exact Mass248.15
IUPAC Name[1-chloro-5-(2-methoxyethoxy)pentyl]cyclopentane
SMILESCOCCOCCCCC(Cl)C1CCCC1
InChIInChI=1S/C13H25ClO2/c1-15-10-11-16-9-5-4-8-13(14)12-6-2-3-7-12/h12-13H,2-11H2,1H3
InChIKeySKUHZDWHKZZYAX-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.79
LogP ≤ 53.62
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'}

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Related Compounds

1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
[1-chloro-4-(3-methylbutoxy)butyl]cyclopropane
CID 63358311
1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928168
N-[2-cyclopentyl-5-(2-methoxyethoxy)pentyl]cyclopropanamine
CID 103412730
2-chloro-2-cyclopropyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
CID 104567217
2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 113427269
1,8-bis(2-methoxyethoxy)octane
CID 143118909
2-cyclopentyl-5-(2-methoxyethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 103412733
1-cyclopentyl-N-ethyl-6-methoxyhexan-1-amine
CID 104648397
2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 104566896
1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104564643
N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide
CID 115600082

Frequently Asked Questions

What is the IUPAC name of [1-chloro-5-(2-methoxyethoxy)pentyl]cyclopentane?
The IUPAC name of [1-chloro-5-(2-methoxyethoxy)pentyl]cyclopentane (CID 103411923) is [1-chloro-5-(2-methoxyethoxy)pentyl]cyclopentane.
What is the SMILES notation for [1-chloro-5-(2-methoxyethoxy)pentyl]cyclopentane?
The canonical SMILES for [1-chloro-5-(2-methoxyethoxy)pentyl]cyclopentane is COCCOCCCCC(Cl)C1CCCC1.
What is the InChIKey of [1-chloro-5-(2-methoxyethoxy)pentyl]cyclopentane?
The InChIKey is SKUHZDWHKZZYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClO2/c1-15-10-11-16-9-5-4-8-13(14)12-6-2-3-7-12/h12-13H,2-11H2,1H3.
What are the key properties of [1-chloro-5-(2-methoxyethoxy)pentyl]cyclopentane?
[1-chloro-5-(2-methoxyethoxy)pentyl]cyclopentane has a molecular weight of 248.79 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-chloro-5-(2-methoxyethoxy)pentyl]cyclopentane is sourced from PubChem (CID 103411923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).