beta-Ethyldecalin
Basic information
- CAS
1618-23-1- Standard SMILES
CCC1CCC2CCCCC2C1- InChIKey
HLQZZLGOHWUHQM-UHFFFAOYSA-N- Molecular formula
- C12H22
- Average molar mass
- 166.3 g/mol
- Monoisotopic mass
- 166.1721507
Names & identifiers
- Preferred name
- beta-Ethyldecalin
- IUPAC
- 2-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Names & synonyms
beta-Ethyldecalin2-EthyldecahydronaphthaleneNaphthalene, 2-ethyldecahydro-1618-23-13-ethylbicyclo[4.4.0]decane2-Ethyldecalin.beta.-Ethyldecalindecahydro-2-ethylnaphthalene2-Ethyldecahydronaphthalene #SCHEMBL1682666SCHEMBL4635156SCHEMBL4755026
Show more names
SCHEMBL27720889HLQZZLGOHWUHQM-UHFFFAOYSA-NDTXSID701337542SBB061323AKOS006292828NS00096206ST51047347
Database identifiers
- CAS
1618-23-1- PubChem CID
- 33054
- DTXSID
DTXSID701337542
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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