3-ethyl-1-propoxypent-1-yn-3-ol

C10H18O2 — CID 134987297

IUPAC3-ethyl-1-propoxypent-1-yn-3-ol
SMILESCCCOC#CC(O)(CC)CC
InChIInChI=1S/C10H18O2/c1-4-8-12-9-7-10(11,5-2)6-3/h11H,4-6,8H2,1-3H3
InChIKeyWZVPCYOIPQNMJS-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.92
Rot. Bonds4

About 3-ethyl-1-propoxypent-1-yn-3-ol

3-ethyl-1-propoxypent-1-yn-3-ol (PubChem CID 134987297) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-ethyl-1-propoxypent-1-yn-3-ol.

Molecular Properties

Compound Name3-ethyl-1-propoxypent-1-yn-3-ol
PubChem CID134987297
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-ethyl-1-propoxypent-1-yn-3-ol
SMILESCCCOC#CC(O)(CC)CC
InChIInChI=1S/C10H18O2/c1-4-8-12-9-7-10(11,5-2)6-3/h11H,4-6,8H2,1-3H3
InChIKeyWZVPCYOIPQNMJS-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
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-ethyl-1-propoxypent-1-yn-3-ol?
The IUPAC name of 3-ethyl-1-propoxypent-1-yn-3-ol (CID 134987297) is 3-ethyl-1-propoxypent-1-yn-3-ol.
What is the SMILES notation for 3-ethyl-1-propoxypent-1-yn-3-ol?
The canonical SMILES for 3-ethyl-1-propoxypent-1-yn-3-ol is CCCOC#CC(O)(CC)CC.
What is the InChIKey of 3-ethyl-1-propoxypent-1-yn-3-ol?
The InChIKey is WZVPCYOIPQNMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-8-12-9-7-10(11,5-2)6-3/h11H,4-6,8H2,1-3H3.
What are the key properties of 3-ethyl-1-propoxypent-1-yn-3-ol?
3-ethyl-1-propoxypent-1-yn-3-ol has a molecular weight of 170.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propoxypent-1-yn-3-ol is sourced from PubChem (CID 134987297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).