3-Hexen-1-yne, (3E)-
Basic information
- CAS
2806-56-6- Standard SMILES
C#C/C=C/CC- InChIKey
CLFYLNSQRWCJAY-AATRIKPKSA-N- Molecular formula
- C6H8
- Average molar mass
- 80.13 g/mol
- Monoisotopic mass
- 80.06260026
Names & identifiers
- Preferred name
- 3-Hexen-1-yne, (3E)-
- IUPAC
- (E)-hex-3-en-1-yne
- English name
- (E)-hex-3-en-1-yne
- Molecular formula
- C6H8
- Molecular weight
- 80.13
Names & synonyms
3-Hexen-1-yne, (3E)-2807-09-23-Hexen-1-yne, (E)-DTXSID40883894EINECS 220-547-0RefChem:502164DTXCID8010233763-Hexen-1-yneHEX-3-EN-1-YNE2806-56-6(E)-Hex-3-en-1-yne(3E)-HEX-3-EN-1-YNE
Show more names
(E)-3-Hexen-1-yne
3-Hex-3-en-1-yne(3E)-3-Hexen-1-yneSCHEMBL936180SCHEMBL2382629SCHEMBL4296930SCHEMBL21121219NS00047973EN300-1763750
Database identifiers
- CAS
2806-56-6、2807-09-2- PubChem CID
- 5367402
- DTXSID
DTXSID40883894- EC Number
- 220-547-0
- Nikkaji
- J102.110I、J133.104C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 79.5
Physicochemical properties
- EPA Substance Registry System
- 3 · 3-Hexen-1-yne, (3E)- (2807-09-2)
- 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 Information3-Hexen-1-yne, (3E)-: INACTIVE
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Compound notes
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