2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride

C9H17ClO4 — CID 71371862

IUPAC2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride
SMILESCC(C)OCCOCCOCC(=O)Cl
InChIInChI=1S/C9H17ClO4/c1-8(2)14-6-5-12-3-4-13-7-9(10)11/h8H,3-7H2,1-2H3
InChIKeyRMBPTVIYXVYWGR-UHFFFAOYSA-N
MW224.68 g/mol
LogP1.21
Rot. Bonds9

About 2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride

2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride (PubChem CID 71371862) has the molecular formula C9H17ClO4 and a molecular weight of 224.68 g/mol. Its IUPAC name is 2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride.

Molecular Properties

Compound Name2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride
PubChem CID71371862
Molecular FormulaC9H17ClO4
Molecular Weight224.68 g/mol
Exact Mass224.08
IUPAC Name2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride
SMILESCC(C)OCCOCCOCC(=O)Cl
InChIInChI=1S/C9H17ClO4/c1-8(2)14-6-5-12-3-4-13-7-9(10)11/h8H,3-7H2,1-2H3
InChIKeyRMBPTVIYXVYWGR-UHFFFAOYSA-N
XLogP1.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.68
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride?
The IUPAC name of 2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride (CID 71371862) is 2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride.
What is the SMILES notation for 2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride?
The canonical SMILES for 2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride is CC(C)OCCOCCOCC(=O)Cl.
What is the InChIKey of 2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride?
The InChIKey is RMBPTVIYXVYWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO4/c1-8(2)14-6-5-12-3-4-13-7-9(10)11/h8H,3-7H2,1-2H3.
What are the key properties of 2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride?
2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride has a molecular weight of 224.68 g/mol, XLogP of 1.21, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride is sourced from PubChem (CID 71371862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).