[1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]cyclopentane

C13H24Cl2O2 — CID 112571093

IUPAC[1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]cyclopentane
SMILESCOCCOCCC(CCl)(CCl)C1CCCC1
InChIInChI=1S/C13H24Cl2O2/c1-16-8-9-17-7-6-13(10-14,11-15)12-4-2-3-5-12/h12H,2-11H2,1H3
InChIKeyFERCNJCQPQPOJQ-UHFFFAOYSA-N
MW283.24 g/mol
LogP3.69
Rot. Bonds9

About [1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]cyclopentane

[1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]cyclopentane (PubChem CID 112571093) has the molecular formula C13H24Cl2O2 and a molecular weight of 283.24 g/mol. Its IUPAC name is [1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]cyclopentane.

Molecular Properties

Compound Name[1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]cyclopentane
PubChem CID112571093
Molecular FormulaC13H24Cl2O2
Molecular Weight283.24 g/mol
Exact Mass282.12
IUPAC Name[1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]cyclopentane
SMILESCOCCOCCC(CCl)(CCl)C1CCCC1
InChIInChI=1S/C13H24Cl2O2/c1-16-8-9-17-7-6-13(10-14,11-15)12-4-2-3-5-12/h12H,2-11H2,1H3
InChIKeyFERCNJCQPQPOJQ-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 53.69
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

2-cyclopentyl-2-(2-methoxyethyl)propane-1,3-diol
CID 112570934
3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane
CID 104568681
(4-methoxy-2-methylbutan-2-yl)cyclopentane
CID 172526249
[1-bromo-2-(bromomethyl)-6-methoxyhexan-2-yl]cyclopentane
CID 104650812
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
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
[1-chloro-2-(chloromethyl)-4-(trifluoromethylsulfanyl)butan-2-yl]cyclopentane
CID 116628074
dimethyl 2-cyclopentyl-2-[2-(2-hydroxyethoxy)ethyl]propanedioate
CID 103973148
3-[1-chloro-2-(chloromethyl)-6-methoxyhexan-2-yl]thiolane 1,1-dioxide
CID 113437254
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
2-methoxyethoxymethylcyclooctane
CID 3020404

Frequently Asked Questions

What is the IUPAC name of [1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]cyclopentane?
The IUPAC name of [1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]cyclopentane (CID 112571093) is [1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]cyclopentane.
What is the SMILES notation for [1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]cyclopentane?
The canonical SMILES for [1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]cyclopentane is COCCOCCC(CCl)(CCl)C1CCCC1.
What is the InChIKey of [1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]cyclopentane?
The InChIKey is FERCNJCQPQPOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24Cl2O2/c1-16-8-9-17-7-6-13(10-14,11-15)12-4-2-3-5-12/h12H,2-11H2,1H3.
What are the key properties of [1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]cyclopentane?
[1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]cyclopentane has a molecular weight of 283.24 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-chloro-2-(chloromethyl)-4-(2-methoxyethoxy)butan-2-yl]cyclopentane is sourced from PubChem (CID 112571093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).