Basic information
- CAS
2384-90-9- Standard SMILES
C=C=CCCCC- InChIKey
OEMWTWLQGRYBGM-UHFFFAOYSA-N- Molecular formula
- C7H12
- Average molar mass
- 96.17 g/mol
- Monoisotopic mass
- 96.09390038
Names & identifiers
- Preferred name
- Butylallene
- IUPAC
- hepta-1,2-diene
- English name
- hepta-1,2-diene
- Molecular formula
- C7H12
- Molecular weight
- 96.17
Names & synonyms
Butylallene1,2-HeptadieneNSC 147135RefChem:122305OEMWTWLQGRYBGM-UHFFFAOYSA-Nhepta-1,2-diene2384-90-9685ZG22A8KNSC-147135NSC1471351-BUTYLALLENESCHEMBL525773
Show more names
UNII-685ZG22A8KSCHEMBL7683445SCHEMBL27641747SCHEMBL27662183SCHEMBL29130304DTXSID00870962MFCD07780497AKOS006284670
Database identifiers
- CAS
2384-90-9- PubChem CID
- 75426
- DTXSID
DTXSID00870962- UNII
- 685ZG22A8K
- Nikkaji
- J108.949H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 66.1
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- -105.67 °C · -105.67°C (estimate)
- Boiling point
- 103.75 °C · 103.75°C
- Density
- 0.7306 · 0.7306
- refractive index
- 1.432 · 1.4320
- FDA UNII
- 685 ZG22A8K · 685ZG22A8K
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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