2-pent-2-en-4-ynoxyoxane

C10H14O2 — CID 71366462

IUPAC2-pent-2-en-4-ynoxyoxane
SMILESC#CC=CCOC1CCCCO1
InChIInChI=1S/C10H14O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h1,3,5,10H,4,6-9H2
InChIKeyNJXUAHIAILUDOY-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.72
Rot. Bonds3

About 2-pent-2-en-4-ynoxyoxane

2-pent-2-en-4-ynoxyoxane (PubChem CID 71366462) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-pent-2-en-4-ynoxyoxane.

Molecular Properties

Compound Name2-pent-2-en-4-ynoxyoxane
PubChem CID71366462
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-pent-2-en-4-ynoxyoxane
SMILESC#CC=CCOC1CCCCO1
InChIInChI=1S/C10H14O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h1,3,5,10H,4,6-9H2
InChIKeyNJXUAHIAILUDOY-UHFFFAOYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
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 2-pent-2-en-4-ynoxyoxane?
The IUPAC name of 2-pent-2-en-4-ynoxyoxane (CID 71366462) is 2-pent-2-en-4-ynoxyoxane.
What is the SMILES notation for 2-pent-2-en-4-ynoxyoxane?
The canonical SMILES for 2-pent-2-en-4-ynoxyoxane is C#CC=CCOC1CCCCO1.
What is the InChIKey of 2-pent-2-en-4-ynoxyoxane?
The InChIKey is NJXUAHIAILUDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h1,3,5,10H,4,6-9H2.
What are the key properties of 2-pent-2-en-4-ynoxyoxane?
2-pent-2-en-4-ynoxyoxane has a molecular weight of 166.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-2-en-4-ynoxyoxane is sourced from PubChem (CID 71366462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).