2-Heptyn-1-al-diethyl acetal
Basic information
- CAS
18232-30-9- Standard SMILES
CCCCC#CC(OCC)OCC- InChIKey
NKXTVBJJMIROGV-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- 2-Heptyn-1-al-diethyl acetal
- IUPAC
- 1,1-diethoxyhept-2-yne
- English name
- 2-Heptynal diethyl acetal
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
18232-30-92-Heptyn-1-al-diethyl acetalDTXSID40171283RefChem:261396DTXCID40937741,1-diethoxyhept-2-yne2-Heptynal diethyl acetal2-Heptynyl aldehyde diethyl acetalMFCD000416472-Heptyn-1-al diethyl acetalSCHEMBL288783271,1-Diethoxy-2-heptyne
Show more names
2-HEPTYNAL DIETHYL ACETAL 98%
Database identifiers
- CAS
18232-30-9- PubChem CID
- 140356
- DTXSID
DTXSID40171283
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 99 · 99-100°C 13mm
- Density
- 0 · 0,877 g/cm3
- refractive index
- 1.434 · 1.4340
- Safety Statements
- 24 · 24/25
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
- safety_code
- 24/25
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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