Basic information
- CAS
1871-52-9- Standard SMILES
C1=C\C=C/CC\C=C/1- InChIKey
ICPMUWPXCAVOOQ-XCADPSHZSA-N- Molecular formula
- C8H10
- Average molar mass
- 106.16 g/mol
- Monoisotopic mass
- 106.07825032
Overview
Cycloocta-1,3,5-triene is a cyclooctatriene.
Names & identifiers
- Preferred name
- 1,3,5-Cyclooctatriene
- IUPAC
- (1Z,3Z,5Z)-cycloocta-1,3,5-triene
- English name
- 1,3,5-Cyclooctatriene
- Molecular formula
- C8H10
- Molecular weight
- 106.17
Names & synonyms
1,3,5-CyclooctatrieneCycloocta-1,3,5-trieneCHEBI:37891RefChem:72279ICPMUWPXCAVOOQ-XCADPSHZSA-N1871-52-9(1Z,3Z,5Z)-cycloocta-1,3,5-trieneSCHEMBL836633DTXSID001031072AKOS006275550Q27117308
Database identifiers
- CAS
1871-52-9- PubChem CID
- 5367249
- DTXSID
DTXSID001031072- ChEBI
CHEBI:37891- Nikkaji
- J1.162.428F、J80.334K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 111
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -83.25 °C · -83.25°C
- Boiling point
- 145.55 °C · 145.55°C
- Density
- 0.8971 · 0.8971
- refractive index
- 1.5035 · 1.5035
- LogP
- 3.096 · 3.096 (est)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
杭州里德伯生物科技有限公司13616542515 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Cycloocta-1,3,5-triene is a cyclooctatriene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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