7-Hexadecyne, 16,16-dimethoxy-
Basic information
- CAS
71487-15-5- Standard SMILES
CCCCCCC#CCCCCCCCC(OC)OC- InChIKey
FKCMNLGIGILRHT-UHFFFAOYSA-N- Molecular formula
- C18H34O2
- Average molar mass
- 282.5 g/mol
- Monoisotopic mass
- 282.25588032
Names & identifiers
- Preferred name
- 7-Hexadecyne, 16,16-dimethoxy-
- IUPAC
- 16,16-dimethoxyhexadec-7-yne
- English name
- 16,16-Dimethoxy-7-hexadecyne
- Molecular formula
- C18H34O2
- Molecular weight
- 282.46
Names & synonyms
7-Hexadecyne, 16,16-dimethoxy-9-Hexadecynal dimethyl acetal71487-15-5DTXSID4072366RefChem:546511DTXCID004703816,16-dimethoxyhexadec-7-yneFKCMNLGIGILRHT-UHFFFAOYSA-N16,16-Dimethoxy-7-hexadecyne
Database identifiers
- CAS
71487-15-5- PubChem CID
- 3085485
- DTXSID
DTXSID4072366- Nikkaji
- J446.831G
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 354.7 · 354.7±32.0 °C(Predicted)
- Density
- 0.877 · 0.877±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 7 · 7-Hexadecyne, 16,16-dimethoxy- (71487-15-5)
- 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-dimethoxy-: INACTIVE
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Related reactions
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Compound notes
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