3-(2-ethoxyethoxy)pent-1-yne

C9H16O2 — CID 23366179

IUPAC3-(2-ethoxyethoxy)pent-1-yne
SMILESC#CC(CC)OCCOCC
InChIInChI=1S/C9H16O2/c1-4-9(5-2)11-8-7-10-6-3/h1,9H,5-8H2,2-3H3
InChIKeyYBNXZXMHNGWGOB-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.45
Rot. Bonds6

About 3-(2-ethoxyethoxy)pent-1-yne

3-(2-ethoxyethoxy)pent-1-yne (PubChem CID 23366179) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)pent-1-yne.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)pent-1-yne
PubChem CID23366179
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name3-(2-ethoxyethoxy)pent-1-yne
SMILESC#CC(CC)OCCOCC
InChIInChI=1S/C9H16O2/c1-4-9(5-2)11-8-7-10-6-3/h1,9H,5-8H2,2-3H3
InChIKeyYBNXZXMHNGWGOB-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethoxyethoxy)pent-1-yne?
The IUPAC name of 3-(2-ethoxyethoxy)pent-1-yne (CID 23366179) is 3-(2-ethoxyethoxy)pent-1-yne.
What is the SMILES notation for 3-(2-ethoxyethoxy)pent-1-yne?
The canonical SMILES for 3-(2-ethoxyethoxy)pent-1-yne is C#CC(CC)OCCOCC.
What is the InChIKey of 3-(2-ethoxyethoxy)pent-1-yne?
The InChIKey is YBNXZXMHNGWGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9(5-2)11-8-7-10-6-3/h1,9H,5-8H2,2-3H3.
What are the key properties of 3-(2-ethoxyethoxy)pent-1-yne?
3-(2-ethoxyethoxy)pent-1-yne has a molecular weight of 156.23 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)pent-1-yne is sourced from PubChem (CID 23366179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).