3-Penten-1-yne, 3-methyl-
Basic information
- CAS
14272-80-1- Standard SMILES
C#C/C(C)=C/C- InChIKey
GRGVQLWQXHFRHO-AATRIKPKSA-N- Molecular formula
- C6H8
- Average molar mass
- 80.13 g/mol
- Monoisotopic mass
- 80.06260026
Names & identifiers
- Preferred name
- 3-Penten-1-yne, 3-methyl-
- IUPAC
- (E)-3-methylpent-3-en-1-yne
Names & synonyms
3-Methyl-3-penten-1-yne3-Penten-1-yne, 3-methyl-1574-33-0EINECS 216-399-1DTXSID0061795RefChem:504734DTXCID70350603-Methylpent-3-en-1-yne(E)-3-methylpent-3-en-1-yne3-methyl-pent-3-en-1-yne(3E)-3-Methylpent-3-en-1-yneSCHEMBL125742
Show more names
SCHEMBL146036SCHEMBL9454697SCHEMBL21121338DTXSID601309461(3E)-3-Methyl-3-penten-1-yne(3E)-3-Methyl-3-penten-1-yne #14272-80-1
Database identifiers
- CAS
14272-80-1、1574-33-0- PubChem CID
- 5367404
- DTXSID
DTXSID601309461- EC Number
- 216-399-1
- Nikkaji
- J1.118.094I、J102.112E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 98.5
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Penten-1-yne, 3-methyl-: ACTIVE
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Related reactions
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Compound notes
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