1-[2-[2-(4-but-2-ynoxybut-2-ynoxy)ethoxy]ethoxy]-4-methoxybut-2-yne

C17H24O5 — CID 134887594

IUPAC1-[2-[2-(4-but-2-ynoxybut-2-ynoxy)ethoxy]ethoxy]-4-methoxybut-2-yne
SMILESCC#CCOCC#CCOCCOCCOCC#CCOC
InChIInChI=1S/C17H24O5/c1-3-4-10-19-11-7-8-13-21-15-17-22-16-14-20-12-6-5-9-18-2/h9-17H2,1-2H3
InChIKeyGLDJCSUZICDVAL-UHFFFAOYSA-N
MW308.37 g/mol
LogP0.73
Rot. Bonds11

About 1-[2-[2-(4-but-2-ynoxybut-2-ynoxy)ethoxy]ethoxy]-4-methoxybut-2-yne

1-[2-[2-(4-but-2-ynoxybut-2-ynoxy)ethoxy]ethoxy]-4-methoxybut-2-yne (PubChem CID 134887594) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is 1-[2-[2-(4-but-2-ynoxybut-2-ynoxy)ethoxy]ethoxy]-4-methoxybut-2-yne.

Molecular Properties

Compound Name1-[2-[2-(4-but-2-ynoxybut-2-ynoxy)ethoxy]ethoxy]-4-methoxybut-2-yne
PubChem CID134887594
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name1-[2-[2-(4-but-2-ynoxybut-2-ynoxy)ethoxy]ethoxy]-4-methoxybut-2-yne
SMILESCC#CCOCC#CCOCCOCCOCC#CCOC
InChIInChI=1S/C17H24O5/c1-3-4-10-19-11-7-8-13-21-15-17-22-16-14-20-12-6-5-9-18-2/h9-17H2,1-2H3
InChIKeyGLDJCSUZICDVAL-UHFFFAOYSA-N
XLogP0.73
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-(2-methoxyethoxy)-N,N-dimethylbut-2-yn-1-amine
CID 5157700
1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne
CID 165382525
2-[2-[2-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]but-2-ynoxy]ethoxy]ethoxy]ethanol
CID 12527705
5-but-2-ynoxypent-1-yn-1-ol
CID 88650630
3-(4-methoxybut-2-ynoxy)propylbenzene
CID 101462105
1-bromo-4-methoxybut-2-yne
CID 14293557
N-butyl-N-(4-methoxybut-2-ynoxymethyl)butan-1-amine
CID 3614344
[1-[2-[2-(4-methoxybut-2-ynoxy)ethoxy]ethyl]piperidin-3-yl]methanamine
CID 142385858
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
2-but-2-ynoxyethyl(trimethyl)azanium;phosphoric acid
CID 175331482

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-but-2-ynoxybut-2-ynoxy)ethoxy]ethoxy]-4-methoxybut-2-yne?
The IUPAC name of 1-[2-[2-(4-but-2-ynoxybut-2-ynoxy)ethoxy]ethoxy]-4-methoxybut-2-yne (CID 134887594) is 1-[2-[2-(4-but-2-ynoxybut-2-ynoxy)ethoxy]ethoxy]-4-methoxybut-2-yne.
What is the SMILES notation for 1-[2-[2-(4-but-2-ynoxybut-2-ynoxy)ethoxy]ethoxy]-4-methoxybut-2-yne?
The canonical SMILES for 1-[2-[2-(4-but-2-ynoxybut-2-ynoxy)ethoxy]ethoxy]-4-methoxybut-2-yne is CC#CCOCC#CCOCCOCCOCC#CCOC.
What is the InChIKey of 1-[2-[2-(4-but-2-ynoxybut-2-ynoxy)ethoxy]ethoxy]-4-methoxybut-2-yne?
The InChIKey is GLDJCSUZICDVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O5/c1-3-4-10-19-11-7-8-13-21-15-17-22-16-14-20-12-6-5-9-18-2/h9-17H2,1-2H3.
What are the key properties of 1-[2-[2-(4-but-2-ynoxybut-2-ynoxy)ethoxy]ethoxy]-4-methoxybut-2-yne?
1-[2-[2-(4-but-2-ynoxybut-2-ynoxy)ethoxy]ethoxy]-4-methoxybut-2-yne has a molecular weight of 308.37 g/mol, XLogP of 0.73, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-but-2-ynoxybut-2-ynoxy)ethoxy]ethoxy]-4-methoxybut-2-yne is sourced from PubChem (CID 134887594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).