Basic information
- CAS
61141-83-1- Standard SMILES
CCC1CCC1CC- InChIKey
SXWCZDYKTCYCIC-UHFFFAOYSA-N- Molecular formula
- C8H16
- Average molar mass
- 112.21 g/mol
- Monoisotopic mass
- 112.12520051
Names & identifiers
- Preferred name
- 1,2-Diethylcyclobutane
- IUPAC
- 1,2-diethylcyclobutane
Names & synonyms
1,2-DIETHYLCYCLOBUTANE61141-83-1DTXSID40976659RefChem:411624DTXCID001404029Cyclobutane, 1,2-diethyl-Cyclobutane, 1,2-diethyl-, trans-1,2-Diethylcyclobutane #SCHEMBL960155SCHEMBL16411427SXWCZDYKTCYCIC-UHFFFAOYSA-N
Database identifiers
- CAS
61141-83-1- PubChem CID
- 43552
- DTXSID
DTXSID40976659- Nikkaji
- J144.954K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 56.4
Experimental & physicochemical properties
SolventsSolvents -> Aliphatics, Saturated (<C12)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee Cyclobutane. See Isooctane.
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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