3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane

C13H27ClO3 — CID 104568681

IUPAC3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane
SMILESCCC(CC)(CCl)CCOCCOCCOC
InChIInChI=1S/C13H27ClO3/c1-4-13(5-2,12-14)6-7-16-10-11-17-9-8-15-3/h4-12H2,1-3H3
InChIKeyKRXKBQXIZQYLDK-UHFFFAOYSA-N
MW266.81 g/mol
LogP3.10
Rot. Bonds12

About 3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane

3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane (PubChem CID 104568681) has the molecular formula C13H27ClO3 and a molecular weight of 266.81 g/mol. Its IUPAC name is 3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane.

Molecular Properties

Compound Name3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane
PubChem CID104568681
Molecular FormulaC13H27ClO3
Molecular Weight266.81 g/mol
Exact Mass266.16
IUPAC Name3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane
SMILESCCC(CC)(CCl)CCOCCOCCOC
InChIInChI=1S/C13H27ClO3/c1-4-13(5-2,12-14)6-7-16-10-11-17-9-8-15-3/h4-12H2,1-3H3
InChIKeyKRXKBQXIZQYLDK-UHFFFAOYSA-N
XLogP3.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.81
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane
CID 19858274
2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine
CID 104566572
2-ethyl-2-[2-(2-methoxyethoxy)ethyl]hexan-1-ol
CID 66058911
zinc;carbanide;1-methoxy-2-(2-methoxyethoxy)ethane
CID 161464033
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
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-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
2-ethyl-2-[2-(2-methoxyethoxy)ethoxymethyl]butane-1-sulfonyl chloride
CID 113427535
3-(bromomethyl)-1-(2-methoxyethoxy)-3-methylpentane
CID 66050495
2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-2-methylbutan-1-amine
CID 104566477
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
CID 172826348
CID 172826348

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane?
The IUPAC name of 3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane (CID 104568681) is 3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane.
What is the SMILES notation for 3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane?
The canonical SMILES for 3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane is CCC(CC)(CCl)CCOCCOCCOC.
What is the InChIKey of 3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane?
The InChIKey is KRXKBQXIZQYLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27ClO3/c1-4-13(5-2,12-14)6-7-16-10-11-17-9-8-15-3/h4-12H2,1-3H3.
What are the key properties of 3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane?
3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane has a molecular weight of 266.81 g/mol, XLogP of 3.10, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane is sourced from PubChem (CID 104568681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).