1-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane

C10H21ClO4 — CID 88682894

IUPAC1-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane
SMILESCCC(Cl)OCCOCCOCCOC
InChIInChI=1S/C10H21ClO4/c1-3-10(11)15-9-8-14-7-6-13-5-4-12-2/h10H,3-9H2,1-2H3
InChIKeyMIMTZJZJMBKBCH-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.66
Rot. Bonds11

About 1-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane

1-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane (PubChem CID 88682894) has the molecular formula C10H21ClO4 and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane.

Molecular Properties

Compound Name1-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane
PubChem CID88682894
Molecular FormulaC10H21ClO4
Molecular Weight240.73 g/mol
Exact Mass240.11
IUPAC Name1-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane
SMILESCCC(Cl)OCCOCCOCCOC
InChIInChI=1S/C10H21ClO4/c1-3-10(11)15-9-8-14-7-6-13-5-4-12-2/h10H,3-9H2,1-2H3
InChIKeyMIMTZJZJMBKBCH-UHFFFAOYSA-N
XLogP1.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane?
The IUPAC name of 1-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane (CID 88682894) is 1-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane.
What is the SMILES notation for 1-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane?
The canonical SMILES for 1-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane is CCC(Cl)OCCOCCOCCOC.
What is the InChIKey of 1-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane?
The InChIKey is MIMTZJZJMBKBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO4/c1-3-10(11)15-9-8-14-7-6-13-5-4-12-2/h10H,3-9H2,1-2H3.
What are the key properties of 1-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane?
1-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane has a molecular weight of 240.73 g/mol, XLogP of 1.66, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane is sourced from PubChem (CID 88682894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).