3-[2-(2-ethoxyethoxy)ethoxy]prop-1-yne

C9H16O3 — CID 71325328

IUPAC3-[2-(2-ethoxyethoxy)ethoxy]prop-1-yne
SMILESC#CCOCCOCCOCC
InChIInChI=1S/C9H16O3/c1-3-5-11-8-9-12-7-6-10-4-2/h1H,4-9H2,2H3
InChIKeyNIFIKPHRYNDRRF-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.69
Rot. Bonds8

About 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-yne

3-[2-(2-ethoxyethoxy)ethoxy]prop-1-yne (PubChem CID 71325328) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-yne.

Molecular Properties

Compound Name3-[2-(2-ethoxyethoxy)ethoxy]prop-1-yne
PubChem CID71325328
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name3-[2-(2-ethoxyethoxy)ethoxy]prop-1-yne
SMILESC#CCOCCOCCOCC
InChIInChI=1S/C9H16O3/c1-3-5-11-8-9-12-7-6-10-4-2/h1H,4-9H2,2H3
InChIKeyNIFIKPHRYNDRRF-UHFFFAOYSA-N
XLogP0.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-yne?
The IUPAC name of 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-yne (CID 71325328) is 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-yne.
What is the SMILES notation for 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-yne?
The canonical SMILES for 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-yne is C#CCOCCOCCOCC.
What is the InChIKey of 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-yne?
The InChIKey is NIFIKPHRYNDRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-5-11-8-9-12-7-6-10-4-2/h1H,4-9H2,2H3.
What are the key properties of 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-yne?
3-[2-(2-ethoxyethoxy)ethoxy]prop-1-yne has a molecular weight of 172.22 g/mol, XLogP of 0.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethoxyethoxy)ethoxy]prop-1-yne is sourced from PubChem (CID 71325328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).