1-chloro-3-ethoxy-2-(2-ethoxyethoxy)propane

C9H19ClO3 — CID 22706836

IUPAC1-chloro-3-ethoxy-2-(2-ethoxyethoxy)propane
SMILESCCOCCOC(CCl)COCC
InChIInChI=1S/C9H19ClO3/c1-3-11-5-6-13-9(7-10)8-12-4-2/h9H,3-8H2,1-2H3
InChIKeyFJKWUWJLDPRESA-UHFFFAOYSA-N
MW210.70 g/mol
LogP1.68
Rot. Bonds9

About 1-chloro-3-ethoxy-2-(2-ethoxyethoxy)propane

1-chloro-3-ethoxy-2-(2-ethoxyethoxy)propane (PubChem CID 22706836) has the molecular formula C9H19ClO3 and a molecular weight of 210.70 g/mol. Its IUPAC name is 1-chloro-3-ethoxy-2-(2-ethoxyethoxy)propane.

Molecular Properties

Compound Name1-chloro-3-ethoxy-2-(2-ethoxyethoxy)propane
PubChem CID22706836
Molecular FormulaC9H19ClO3
Molecular Weight210.70 g/mol
Exact Mass210.10
IUPAC Name1-chloro-3-ethoxy-2-(2-ethoxyethoxy)propane
SMILESCCOCCOC(CCl)COCC
InChIInChI=1S/C9H19ClO3/c1-3-11-5-6-13-9(7-10)8-12-4-2/h9H,3-8H2,1-2H3
InChIKeyFJKWUWJLDPRESA-UHFFFAOYSA-N
XLogP1.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 51.68
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-ethoxy-2-(2-ethoxyethoxy)propane?
The IUPAC name of 1-chloro-3-ethoxy-2-(2-ethoxyethoxy)propane (CID 22706836) is 1-chloro-3-ethoxy-2-(2-ethoxyethoxy)propane.
What is the SMILES notation for 1-chloro-3-ethoxy-2-(2-ethoxyethoxy)propane?
The canonical SMILES for 1-chloro-3-ethoxy-2-(2-ethoxyethoxy)propane is CCOCCOC(CCl)COCC.
What is the InChIKey of 1-chloro-3-ethoxy-2-(2-ethoxyethoxy)propane?
The InChIKey is FJKWUWJLDPRESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClO3/c1-3-11-5-6-13-9(7-10)8-12-4-2/h9H,3-8H2,1-2H3.
What are the key properties of 1-chloro-3-ethoxy-2-(2-ethoxyethoxy)propane?
1-chloro-3-ethoxy-2-(2-ethoxyethoxy)propane has a molecular weight of 210.70 g/mol, XLogP of 1.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethoxy-2-(2-ethoxyethoxy)propane is sourced from PubChem (CID 22706836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).