Basic information
- CAS
5842-53-5- Standard SMILES
CC(C)=CC(C)(C)CO- InChIKey
BIIWBYUXAOCDCC-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Names & identifiers
- Preferred name
- 2,2,4-Trimethyl-3-penten-1-ol
- IUPAC
- 2,2,4-trimethylpent-3-en-1-ol
- English name
- 2,2,4-trimethylpent-3-en-1-ol
- Molecular formula
- C8H16O
- Molecular weight
- 128.21204
Names & synonyms
2,2,4-Trimethylpent-3-en-1-ol5842-53-5DTXSID502071282,2,4-Trimethyl-3-penten-1-olRefChem:1059018DTXCID50129619227-432-43-Penten-1-ol, 2,2,4-trimethyl-AI3-28503EINECS 227-432-4SCHEMBL7371612,2,4-Trimethyl-3-penten-1-ol #
Show more names
DB-260220NS00046381
Database identifiers
- CAS
5842-53-5- PubChem CID
- 79926
- DTXSID
DTXSID50207128- EC Number
- 227-432-4
- Nikkaji
- J100.630D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- LogP
- 2.371 · 2.371 (est)
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…