3-ethyl-1-(3-ethyl-2-propyloxiran-2-yl)pent-1-yn-3-ol

C14H24O2 — CID 90477852

IUPAC3-ethyl-1-(3-ethyl-2-propyloxiran-2-yl)pent-1-yn-3-ol
SMILESCCCC1(C#CC(O)(CC)CC)OC1CC
InChIInChI=1S/C14H24O2/c1-5-9-14(12(6-2)16-14)11-10-13(15,7-3)8-4/h12,15H,5-9H2,1-4H3
InChIKeyKJSZOQPSKFEFIG-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.89
Rot. Bonds5

About 3-ethyl-1-(3-ethyl-2-propyloxiran-2-yl)pent-1-yn-3-ol

3-ethyl-1-(3-ethyl-2-propyloxiran-2-yl)pent-1-yn-3-ol (PubChem CID 90477852) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-ethyl-1-(3-ethyl-2-propyloxiran-2-yl)pent-1-yn-3-ol.

Molecular Properties

Compound Name3-ethyl-1-(3-ethyl-2-propyloxiran-2-yl)pent-1-yn-3-ol
PubChem CID90477852
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-ethyl-1-(3-ethyl-2-propyloxiran-2-yl)pent-1-yn-3-ol
SMILESCCCC1(C#CC(O)(CC)CC)OC1CC
InChIInChI=1S/C14H24O2/c1-5-9-14(12(6-2)16-14)11-10-13(15,7-3)8-4/h12,15H,5-9H2,1-4H3
InChIKeyKJSZOQPSKFEFIG-UHFFFAOYSA-N
XLogP2.89
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-ethyl-2-propyloxiran-2-yl)pent-1-yn-3-ol?
The IUPAC name of 3-ethyl-1-(3-ethyl-2-propyloxiran-2-yl)pent-1-yn-3-ol (CID 90477852) is 3-ethyl-1-(3-ethyl-2-propyloxiran-2-yl)pent-1-yn-3-ol.
What is the SMILES notation for 3-ethyl-1-(3-ethyl-2-propyloxiran-2-yl)pent-1-yn-3-ol?
The canonical SMILES for 3-ethyl-1-(3-ethyl-2-propyloxiran-2-yl)pent-1-yn-3-ol is CCCC1(C#CC(O)(CC)CC)OC1CC.
What is the InChIKey of 3-ethyl-1-(3-ethyl-2-propyloxiran-2-yl)pent-1-yn-3-ol?
The InChIKey is KJSZOQPSKFEFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-9-14(12(6-2)16-14)11-10-13(15,7-3)8-4/h12,15H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-1-(3-ethyl-2-propyloxiran-2-yl)pent-1-yn-3-ol?
3-ethyl-1-(3-ethyl-2-propyloxiran-2-yl)pent-1-yn-3-ol has a molecular weight of 224.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-ethyl-2-propyloxiran-2-yl)pent-1-yn-3-ol is sourced from PubChem (CID 90477852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).