1,3,5,7-Tetramethyladamantane
Basic information
- CAS
1687-36-1- Standard SMILES
CC12CC3(C)CC(C)(C1)CC(C)(C2)C3- InChIKey
UJSORZVCMMYGBS-UHFFFAOYSA-N- Molecular formula
- C14H24
- Average molar mass
- 192.34 g/mol
- Monoisotopic mass
- 192.18780077
Names & identifiers
- Preferred name
- 1,3,5,7-Tetramethyladamantane
- IUPAC
- 1,3,5,7-tetramethyladamantane
- English name
- 1,3,5,7-Tetrmethyl-adamantane
- Molecular formula
- C14H24
- Molecular weight
- 192.34
Names & synonyms
1,3,5,7-Tetramethyladamantane1687-36-1DTXSID00168593RefChem:1052542DTXCID30910841,3,5,7-TETRMETHYL-ADAMANTANE1,3,5,7-Tetramethyl-adamantaneTricyclo[3.3.1.13,7]decane, 1,3,5,7-tetramethyl-ADAMANTANE,TETRAMETHYLSCHEMBL8941008SCHEMBL11405480SCHEMBL11405483
Show more names
Adamantane Impurity 18Adamantane,1,3,5,7-tetramethyl- (6CI,7CI,8CI)
UJSORZVCMMYGBS-UHFFFAOYSA-NAKOS006278308AKOS022181212tricyclo[3.3.1.1~3,7~]decane, 1,3,5,7-tetramethyl-InChI=1/C14H24/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12/h5-10H2,1-4H
Database identifiers
- CAS
1687-36-1- PubChem CID
- 137155
- DTXSID
DTXSID00168593- Nikkaji
- J813.837K
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 65 · 65.0-66.5 °C
- Boiling point
- 96 · 96-102 °C(Press: 10 Torr)
- Density
- 0.969 · 0.969±0.06 g/cm3(Predicted)
Chemistry & industry
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Compound notes
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