3-(2-n-Propoxyethoxy)-3-methyl-1-butyne

HCID 23366192
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Basic information

Standard SMILES
C#CC(C)(C)OCCOCCC
InChIKey
POBDMQKWSYXIQA-UHFFFAOYSA-N
Molecular formula
C10H18O2
Average molar mass
170.25 g/mol

Names & identifiers

Preferred name
3-(2-n-Propoxyethoxy)-3-methyl-1-butyne
IUPAC
3-methyl-3-(2-propoxyethoxy)but-1-yne

Names & synonyms

SCHEMBL9089536SCHEMBL9091380POBDMQKWSYXIQA-UHFFFAOYSA-N3-(2-n-propoxyethoxy)-3-methyl-1-butyne

Database identifiers

PubChem CID
23366192

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
12

Related reactions

2 records
New reaction record

Compound notes

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