4-(2-ethoxyethoxy)-3-methylbut-1-yne

C9H16O2 — CID 140970677

IUPAC4-(2-ethoxyethoxy)-3-methylbut-1-yne
SMILESC#CC(C)COCCOCC
InChIInChI=1S/C9H16O2/c1-4-9(3)8-11-7-6-10-5-2/h1,9H,5-8H2,2-3H3
InChIKeyUDNIGCOZKNPYMX-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.31
Rot. Bonds6

About 4-(2-ethoxyethoxy)-3-methylbut-1-yne

4-(2-ethoxyethoxy)-3-methylbut-1-yne (PubChem CID 140970677) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-3-methylbut-1-yne.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-3-methylbut-1-yne
PubChem CID140970677
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name4-(2-ethoxyethoxy)-3-methylbut-1-yne
SMILESC#CC(C)COCCOCC
InChIInChI=1S/C9H16O2/c1-4-9(3)8-11-7-6-10-5-2/h1,9H,5-8H2,2-3H3
InChIKeyUDNIGCOZKNPYMX-UHFFFAOYSA-N
XLogP1.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.31
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

7-ethoxy-3-methylhept-1-yne
CID 91807315
1-(but-3-yn-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 114416575
1-(2-ethoxyethoxy)-2-propan-2-yloxypropane
CID 174484893
1,2-diethoxyethane;hydrofluoride
CID 175535770
3-[2-(2-ethoxyethoxy)ethoxy]-2-methylpropan-1-ol
CID 138569318
1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane
CID 59128190
1,2-diethoxyethane;ethene
CID 158825770
sodium;1,2-diethoxyethane;hydride
CID 174903036
1-(2-ethoxyethoxy)propane-2-sulfonic acid
CID 150975987
1,2-bis[2-(2-ethoxyethoxy)ethoxy]butane
CID 121246575
1-bromo-2-(2-ethoxyethoxymethyl)butane
CID 64995451
3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol
CID 57186683

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-3-methylbut-1-yne?
The IUPAC name of 4-(2-ethoxyethoxy)-3-methylbut-1-yne (CID 140970677) is 4-(2-ethoxyethoxy)-3-methylbut-1-yne.
What is the SMILES notation for 4-(2-ethoxyethoxy)-3-methylbut-1-yne?
The canonical SMILES for 4-(2-ethoxyethoxy)-3-methylbut-1-yne is C#CC(C)COCCOCC.
What is the InChIKey of 4-(2-ethoxyethoxy)-3-methylbut-1-yne?
The InChIKey is UDNIGCOZKNPYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9(3)8-11-7-6-10-5-2/h1,9H,5-8H2,2-3H3.
What are the key properties of 4-(2-ethoxyethoxy)-3-methylbut-1-yne?
4-(2-ethoxyethoxy)-3-methylbut-1-yne has a molecular weight of 156.23 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-3-methylbut-1-yne is sourced from PubChem (CID 140970677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).