2-non-8-ynoxyoxane

C14H24O2 — CID 559181

IUPAC2-non-8-ynoxyoxane
SMILESC#CCCCCCCCOC1CCCCO1
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-7-9-12-15-14-11-8-10-13-16-14/h1,14H,3-13H2
InChIKeyWOWINUGFQCFWDE-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.50
Rot. Bonds8

About 2-non-8-ynoxyoxane

2-non-8-ynoxyoxane (PubChem CID 559181) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-non-8-ynoxyoxane.

Molecular Properties

Compound Name2-non-8-ynoxyoxane
PubChem CID559181
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-non-8-ynoxyoxane
SMILESC#CCCCCCCCOC1CCCCO1
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-7-9-12-15-14-11-8-10-13-16-14/h1,14H,3-13H2
InChIKeyWOWINUGFQCFWDE-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
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 2-non-8-ynoxyoxane?
The IUPAC name of 2-non-8-ynoxyoxane (CID 559181) is 2-non-8-ynoxyoxane.
What is the SMILES notation for 2-non-8-ynoxyoxane?
The canonical SMILES for 2-non-8-ynoxyoxane is C#CCCCCCCCOC1CCCCO1.
What is the InChIKey of 2-non-8-ynoxyoxane?
The InChIKey is WOWINUGFQCFWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-3-4-5-6-7-9-12-15-14-11-8-10-13-16-14/h1,14H,3-13H2.
What are the key properties of 2-non-8-ynoxyoxane?
2-non-8-ynoxyoxane has a molecular weight of 224.34 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-non-8-ynoxyoxane is sourced from PubChem (CID 559181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).