7-Ethyl-2-methylnonane-4,6-diol
Basic information
- CAS
92671-72-2- Standard SMILES
CCC(CC)C(O)CC(O)CC(C)C- InChIKey
MPURTQWGOYOLEZ-UHFFFAOYSA-N- Molecular formula
- C12H26O2
- Average molar mass
- 202.33 g/mol
- Monoisotopic mass
- 202.19328007
Names & identifiers
- Preferred name
- 7-Ethyl-2-methylnonane-4,6-diol
- IUPAC
- 7-ethyl-2-methylnonane-4,6-diol
- English name
- 7-ethyl-2-methylnonane-4,6-diol
- Molecular formula
- C12H26O2
- Molecular weight
- 202.33364
Names & synonyms
92671-72-2NSC 1664717-ethyl-2-methylnonane-4,6-diolNSC166471SCHEMBL1801589DTXSID803046147-ethyl-2-methyl-4,6-nonanediolAKOS024332632NSC-166471
Database identifiers
- CAS
92671-72-2- PubChem CID
- 296369
- DTXSID
DTXSID80304614
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…