1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane

C9H18Cl2O3 — CID 19858274

IUPAC1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane
SMILESCOCCOCC(CCl)(CCl)COC
InChIInChI=1S/C9H18Cl2O3/c1-12-3-4-14-8-9(5-10,6-11)7-13-2/h3-8H2,1-2H3
InChIKeyZURBOQROUWXCCJ-UHFFFAOYSA-N
MW245.15 g/mol
LogP1.76
Rot. Bonds9

About 1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane

1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane (PubChem CID 19858274) has the molecular formula C9H18Cl2O3 and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane.

Molecular Properties

Compound Name1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane
PubChem CID19858274
Molecular FormulaC9H18Cl2O3
Molecular Weight245.15 g/mol
Exact Mass244.06
IUPAC Name1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane
SMILESCOCCOCC(CCl)(CCl)COC
InChIInChI=1S/C9H18Cl2O3/c1-12-3-4-14-8-9(5-10,6-11)7-13-2/h3-8H2,1-2H3
InChIKeyZURBOQROUWXCCJ-UHFFFAOYSA-N
XLogP1.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 51.76
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

3-(chloromethyl)-3-ethyl-1-[2-(2-methoxyethoxy)ethoxy]pentane
CID 104568681
1-ethoxy-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propane
CID 123158943
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
CID 172826348
CID 172826348
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430
CID 173303266
CID 173303266
1-methoxy-2-(2-methoxyethoxy)ethane;tellane
CID 175355772
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2-dimethylpropane
CID 166572083
1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane
CID 159060039

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane?
The IUPAC name of 1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane (CID 19858274) is 1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane.
What is the SMILES notation for 1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane?
The canonical SMILES for 1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane is COCCOCC(CCl)(CCl)COC.
What is the InChIKey of 1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane?
The InChIKey is ZURBOQROUWXCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Cl2O3/c1-12-3-4-14-8-9(5-10,6-11)7-13-2/h3-8H2,1-2H3.
What are the key properties of 1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane?
1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane has a molecular weight of 245.15 g/mol, XLogP of 1.76, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(chloromethyl)-3-methoxy-2-(2-methoxyethoxymethyl)propane is sourced from PubChem (CID 19858274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).