2-octadec-9-ynoxyoxane

C23H42O2 — CID 11024558

IUPAC2-octadec-9-ynoxyoxane
SMILESCCCCCCCCC#CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C23H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-23-20-17-19-22-25-23/h23H,2-8,11-22H2,1H3
InChIKeyHXLZDWWAMWJMHS-UHFFFAOYSA-N
MW350.59 g/mol
LogP7.01
Rot. Bonds15

About 2-octadec-9-ynoxyoxane

2-octadec-9-ynoxyoxane (PubChem CID 11024558) has the molecular formula C23H42O2 and a molecular weight of 350.59 g/mol. Its IUPAC name is 2-octadec-9-ynoxyoxane.

Molecular Properties

Compound Name2-octadec-9-ynoxyoxane
PubChem CID11024558
Molecular FormulaC23H42O2
Molecular Weight350.59 g/mol
Exact Mass350.32
IUPAC Name2-octadec-9-ynoxyoxane
SMILESCCCCCCCCC#CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C23H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-23-20-17-19-22-25-23/h23H,2-8,11-22H2,1H3
InChIKeyHXLZDWWAMWJMHS-UHFFFAOYSA-N
XLogP7.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 57.01
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-octadec-9-ynoxyoxane?
The IUPAC name of 2-octadec-9-ynoxyoxane (CID 11024558) is 2-octadec-9-ynoxyoxane.
What is the SMILES notation for 2-octadec-9-ynoxyoxane?
The canonical SMILES for 2-octadec-9-ynoxyoxane is CCCCCCCCC#CCCCCCCCCOC1CCCCO1.
What is the InChIKey of 2-octadec-9-ynoxyoxane?
The InChIKey is HXLZDWWAMWJMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-23-20-17-19-22-25-23/h23H,2-8,11-22H2,1H3.
What are the key properties of 2-octadec-9-ynoxyoxane?
2-octadec-9-ynoxyoxane has a molecular weight of 350.59 g/mol, XLogP of 7.01, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octadec-9-ynoxyoxane is sourced from PubChem (CID 11024558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).