1-chloro-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propane

C12H25ClO5 — CID 173231348

IUPAC1-chloro-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propane
SMILESCOCCOCCOCCOCCOCCCCl
InChIInChI=1S/C12H25ClO5/c1-14-5-6-16-9-10-18-12-11-17-8-7-15-4-2-3-13/h2-12H2,1H3
InChIKeyFXQZOXHAMVTUMA-UHFFFAOYSA-N
MW284.78 g/mol
LogP1.33
Rot. Bonds15

About 1-chloro-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propane

1-chloro-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propane (PubChem CID 173231348) has the molecular formula C12H25ClO5 and a molecular weight of 284.78 g/mol. Its IUPAC name is 1-chloro-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propane.

Molecular Properties

Compound Name1-chloro-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propane
PubChem CID173231348
Molecular FormulaC12H25ClO5
Molecular Weight284.78 g/mol
Exact Mass284.14
IUPAC Name1-chloro-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propane
SMILESCOCCOCCOCCOCCOCCCCl
InChIInChI=1S/C12H25ClO5/c1-14-5-6-16-9-10-18-12-11-17-8-7-15-4-2-3-13/h2-12H2,1H3
InChIKeyFXQZOXHAMVTUMA-UHFFFAOYSA-N
XLogP1.33
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propane?
The IUPAC name of 1-chloro-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propane (CID 173231348) is 1-chloro-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propane.
What is the SMILES notation for 1-chloro-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propane?
The canonical SMILES for 1-chloro-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propane is COCCOCCOCCOCCOCCCCl.
What is the InChIKey of 1-chloro-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propane?
The InChIKey is FXQZOXHAMVTUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClO5/c1-14-5-6-16-9-10-18-12-11-17-8-7-15-4-2-3-13/h2-12H2,1H3.
What are the key properties of 1-chloro-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propane?
1-chloro-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propane has a molecular weight of 284.78 g/mol, XLogP of 1.33, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propane is sourced from PubChem (CID 173231348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).