trans-9-Decalol
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Basic information
- CAS
1654-87-1- Standard SMILES
OC12CCCCC1CCCC2- InChIKey
YMWMXZXXVIICRR-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- trans-9-Decalol
- IUPAC
- 2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
- English name
- decalin-4a-ol
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
trans-9-Decalol1654-87-14a(2H)-Naphthalenol, octahydro-, trans-DTXSID80167943Octahydro-4a(2H)-naphthalenol, (E)-RefChem:190625DTXCID3090434YMWMXZXXVIICRR-UHFFFAOYSA-N2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-olOctahydro-4a(2H)-naphthalenol3574-58-1decalin-4a-ol
Show more names
4a(2H)-Naphthalenol, octahydro-, cis-
55693-34-09-hydroxydecalincis-9-DecalinolNSC1761824a-hydroxy-cis-decalinSCHEMBL9891octahydronaphthalen-4a(2H)-olSCHEMBL4613762
Database identifiers
- CAS
1654-87-1、3574-58-1、55693-34-0- PubChem CID
- 137141
- DTXSID
DTXSID80167943- Nikkaji
- J173.453I、J645.527A、J741.867A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Melting point
- 65 °C · 65 °C
- Boiling point
- 100 · 100-102 °C(Press: 10 Torr)
- Density
- 1.027 · 1.027±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 15.184 · 15.184±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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