4A-Ethoxydecahydronaphthalene (cis)
Basic information
- CAS
51953-10-7- Standard SMILES
CCOC12CCCCC1CCCC2- InChIKey
DMLUVJCQGXBHBP-UHFFFAOYSA-N- Molecular formula
- C12H22O
- Average molar mass
- 182.3 g/mol
- Monoisotopic mass
- 182.16706532
Names & identifiers
- Preferred name
- 4A-Ethoxydecahydronaphthalene (cis)
- IUPAC
- 8a-ethoxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
Names & synonyms
4A-ETHOXYDECAHYDRONAPHTHALENE (CIS)51953-10-74a-ethoxydecahydronaphthaleneDTXSID80199926
Database identifiers
- CAS
51953-10-7- PubChem CID
- 40188
- DTXSID
DTXSID80199926- Nikkaji
- J1.620.328I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 153
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Compound notes
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