Basic information
- CAS
71487-14-4- Standard SMILES
CCCCCCC#CCCCCCCCC(OCC)OCC- InChIKey
NZRXKRWZTKRDRH-UHFFFAOYSA-N- Molecular formula
- C20H38O2
- Average molar mass
- 310.5 g/mol
- Monoisotopic mass
- 310.28718045
Names & identifiers
- Preferred name
- 7-Hexadecyne, 16,16-diethoxy-
- IUPAC
- 16,16-diethoxyhexadec-7-yne
- English name
- 16,16-Diethoxy-7-hexadecyne
- Molecular formula
- C20H38O2
- Molecular weight
- 310.51
Names & synonyms
7-Hexadecyne, 16,16-diethoxy-9-Hexadecynal diethyl acetal71487-14-4DTXSID10887905RefChem:546510DTXCID70102718716,16-diethoxyhexadec-7-yneNZRXKRWZTKRDRH-UHFFFAOYSA-N16,16-Diethoxy-7-hexadecyne
Database identifiers
- CAS
71487-14-4- PubChem CID
- 3085484
- DTXSID
DTXSID10887905- Nikkaji
- J446.830I
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- EPA Substance Registry System
- 7 · 7-Hexadecyne, 16,16-diethoxy- (71487-14-4)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information7-Hexadecyne, 16,16-diethoxy-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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