Tetrahydro-2,5-dimethyl-2H-pyran-2-methanol
Basic information
- CAS
54004-46-5- Standard SMILES
CC1CCC(C)(CO)OC1- InChIKey
BJQJGDGEKXRYBA-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Overview
Tetrahydro-2,5-dimethyl-2H-pyranmethanol is a member of oxanes.
Names & identifiers
- Preferred name
- Tetrahydro-2,5-dimethyl-2H-pyran-2-methanol
- IUPAC
- (2,5-dimethyloxan-2-yl)methanol
- English name
- tetrahydro-2,5-dimethyl-2H-pyranmethanol
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
Tetrahydro-2,5-dimethyl-2H-pyranmethanol54004-46-5Tetrahydro-2,5-dimethyl-2H-pyran-2-methanolRefChem:1099676258-915-8(2,5-dimethyloxan-2-yl)methanol2H-Pyran-2-methanol, tetrahydro-2,5-dimethyl-(2,5-Dimethyltetrahydro-2H-pyran-2-yl)methanolNSC71441EINECS 258-915-82H-Pyranmethanol, tetrahydro-2,5-dimethyl-NCIOpen2_000454
Show more names
2-Hydroxymethyl-2,5-dimethyl-tetrahydro-pyran
2H-Pyranmethanol,5-dimethyl-SCHEMBL15346386CHEBI:88826DTXSID80968831NSC 71441NSC-71441DB-361739NS00056978
Database identifiers
- CAS
54004-46-5- PubChem CID
- 98034
- DTXSID
DTXSID80968831- ChEBI
CHEBI:88826- EC Number
- 258-915-8
- Nikkaji
- J101.340H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 82.8 · 82.8-83.6 °C(Press: 10 Torr)
- Density
- 0.933 · 0.933±0.06 g/cm3(Predicted)
- pka
- 14.48 · 14.48±0.10(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Tetrahydro-2,5-dimethyl-2H-pyranmethanol is a member of oxanes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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