2-octadeca-2,5,8-triynoxyoxane

C23H34O2 — CID 11099965

IUPAC2-octadeca-2,5,8-triynoxyoxane
SMILESCCCCCCCCCC#CCC#CCC#CCOC1CCCCO1
InChIInChI=1S/C23H34O2/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,2-9,12,15,17,19-22H2,1H3
InChIKeyYSNBGABMLSILRX-UHFFFAOYSA-N
MW342.52 g/mol
LogP5.46
Rot. Bonds9

About 2-octadeca-2,5,8-triynoxyoxane

2-octadeca-2,5,8-triynoxyoxane (PubChem CID 11099965) has the molecular formula C23H34O2 and a molecular weight of 342.52 g/mol. Its IUPAC name is 2-octadeca-2,5,8-triynoxyoxane.

Molecular Properties

Compound Name2-octadeca-2,5,8-triynoxyoxane
PubChem CID11099965
Molecular FormulaC23H34O2
Molecular Weight342.52 g/mol
Exact Mass342.26
IUPAC Name2-octadeca-2,5,8-triynoxyoxane
SMILESCCCCCCCCCC#CCC#CCC#CCOC1CCCCO1
InChIInChI=1S/C23H34O2/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,2-9,12,15,17,19-22H2,1H3
InChIKeyYSNBGABMLSILRX-UHFFFAOYSA-N
XLogP5.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 55.46
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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Related Compounds

2-dodeca-2,7-diynoxyoxane
CID 57283725
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
2-hex-2-ynoxyoxane
CID 11041365
2-heptadec-13-ynoxyoxane
CID 11099777
2-hexadeca-6,12-diynoxyoxane
CID 163386043
(2R)-2-(6-iodohex-2-ynoxy)oxane
CID 124672395
2-(6-bromohex-2-ynoxy)oxane
CID 10801356
2-(7,7,7-trimethoxyhept-2-ynoxy)oxane
CID 71335420
9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid
CID 94037813
2-[(E)-undec-2-en-5-ynoxy]oxane
CID 134976144
1-(oxan-2-yloxy)dec-2-yn-4-ol
CID 10944981
2-octacosoxyoxane
CID 11214102

Frequently Asked Questions

What is the IUPAC name of 2-octadeca-2,5,8-triynoxyoxane?
The IUPAC name of 2-octadeca-2,5,8-triynoxyoxane (CID 11099965) is 2-octadeca-2,5,8-triynoxyoxane.
What is the SMILES notation for 2-octadeca-2,5,8-triynoxyoxane?
The canonical SMILES for 2-octadeca-2,5,8-triynoxyoxane is CCCCCCCCCC#CCC#CCC#CCOC1CCCCO1.
What is the InChIKey of 2-octadeca-2,5,8-triynoxyoxane?
The InChIKey is YSNBGABMLSILRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O2/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,2-9,12,15,17,19-22H2,1H3.
What are the key properties of 2-octadeca-2,5,8-triynoxyoxane?
2-octadeca-2,5,8-triynoxyoxane has a molecular weight of 342.52 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octadeca-2,5,8-triynoxyoxane is sourced from PubChem (CID 11099965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).