3-ethyl-1-methoxypent-1-yn-3-ol

C8H14O2 — CID 134922878

IUPAC3-ethyl-1-methoxypent-1-yn-3-ol
SMILESCCC(O)(C#COC)CC
InChIInChI=1S/C8H14O2/c1-4-8(9,5-2)6-7-10-3/h9H,4-5H2,1-3H3
InChIKeyYTWGTUHIAPVVLE-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.14
Rot. Bonds2

About 3-ethyl-1-methoxypent-1-yn-3-ol

3-ethyl-1-methoxypent-1-yn-3-ol (PubChem CID 134922878) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-ethyl-1-methoxypent-1-yn-3-ol.

Molecular Properties

Compound Name3-ethyl-1-methoxypent-1-yn-3-ol
PubChem CID134922878
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-ethyl-1-methoxypent-1-yn-3-ol
SMILESCCC(O)(C#COC)CC
InChIInChI=1S/C8H14O2/c1-4-8(9,5-2)6-7-10-3/h9H,4-5H2,1-3H3
InChIKeyYTWGTUHIAPVVLE-UHFFFAOYSA-N
XLogP1.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-1-methoxypent-1-yn-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methoxypent-1-yn-3-ol?
The IUPAC name of 3-ethyl-1-methoxypent-1-yn-3-ol (CID 134922878) is 3-ethyl-1-methoxypent-1-yn-3-ol.
What is the SMILES notation for 3-ethyl-1-methoxypent-1-yn-3-ol?
The canonical SMILES for 3-ethyl-1-methoxypent-1-yn-3-ol is CCC(O)(C#COC)CC.
What is the InChIKey of 3-ethyl-1-methoxypent-1-yn-3-ol?
The InChIKey is YTWGTUHIAPVVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-8(9,5-2)6-7-10-3/h9H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-1-methoxypent-1-yn-3-ol?
3-ethyl-1-methoxypent-1-yn-3-ol has a molecular weight of 142.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methoxypent-1-yn-3-ol is sourced from PubChem (CID 134922878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).