Hex-5-ynyloxymethyl-benzene
Basic information
- CAS
60789-55-1- Standard SMILES
C#CCCCCOCc1ccccc1- InChIKey
UUNOFOLSQORREH-UHFFFAOYSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Names & identifiers
- Preferred name
- Hex-5-ynyloxymethyl-benzene
- IUPAC
- hex-5-ynoxymethylbenzene
- English name
- Hex-5-ynyloxymethyl-benzene
- Molecular formula
- C13H16O
- Molecular weight
- 188.27
Names & synonyms
60789-55-1((Hex-5-yn-1-yloxy)methyl)benzenehex-5-ynoxymethylbenzeneHEX-5-YNYLOXYMETHYL-BENZENE6-benzyloxy-1-hexyneHex-1-yne, 6-benzyloxy-SCHEMBL3376445DTXSID40340275[(5-Hexynyloxy)methyl]benzene #AKOS006240006((Hex-5-yn-1-yloxy);methyl);benzene{[(Hex-5-yn-1-yl)oxy]methyl}benzene
Show more names
1-Benzyloxy-5-hexyne1-((hex-5-ynyloxy)methyl)benzeneBenzene, [(5-hexyn-1-yloxy)methyl]-
DA-04457
Database identifiers
- CAS
60789-55-1- PubChem CID
- 563182
- DTXSID
DTXSID40340275- Nikkaji
- J1.414.387D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Related reactions
3 records
Compound notes
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