1-ethoxy-3-ethylpent-1-yn-3-ol

C9H16O2 — CID 14090226

IUPAC1-ethoxy-3-ethylpent-1-yn-3-ol
SMILESCCOC#CC(O)(CC)CC
InChIInChI=1S/C9H16O2/c1-4-9(10,5-2)7-8-11-6-3/h10H,4-6H2,1-3H3
InChIKeyLSTIPBZNGFIWHG-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.53
Rot. Bonds3

About 1-ethoxy-3-ethylpent-1-yn-3-ol

1-ethoxy-3-ethylpent-1-yn-3-ol (PubChem CID 14090226) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-ethoxy-3-ethylpent-1-yn-3-ol.

Molecular Properties

Compound Name1-ethoxy-3-ethylpent-1-yn-3-ol
PubChem CID14090226
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-ethoxy-3-ethylpent-1-yn-3-ol
SMILESCCOC#CC(O)(CC)CC
InChIInChI=1S/C9H16O2/c1-4-9(10,5-2)7-8-11-6-3/h10H,4-6H2,1-3H3
InChIKeyLSTIPBZNGFIWHG-UHFFFAOYSA-N
XLogP1.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-ethylpent-1-yn-3-ol?
The IUPAC name of 1-ethoxy-3-ethylpent-1-yn-3-ol (CID 14090226) is 1-ethoxy-3-ethylpent-1-yn-3-ol.
What is the SMILES notation for 1-ethoxy-3-ethylpent-1-yn-3-ol?
The canonical SMILES for 1-ethoxy-3-ethylpent-1-yn-3-ol is CCOC#CC(O)(CC)CC.
What is the InChIKey of 1-ethoxy-3-ethylpent-1-yn-3-ol?
The InChIKey is LSTIPBZNGFIWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9(10,5-2)7-8-11-6-3/h10H,4-6H2,1-3H3.
What are the key properties of 1-ethoxy-3-ethylpent-1-yn-3-ol?
1-ethoxy-3-ethylpent-1-yn-3-ol has a molecular weight of 156.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-ethylpent-1-yn-3-ol is sourced from PubChem (CID 14090226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).