Basic information
- CAS
5344-33-2- Standard SMILES
CCOCC(C)(CO)CC(C)CO- InChIKey
GFACVWGNHPBNPQ-UHFFFAOYSA-N- Molecular formula
- C10H22O3
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.15689456
Names & identifiers
- Preferred name
- 2-(Ethoxymethyl)-2,4-dimethyl-1,5-pentanediol
- IUPAC
- 2-(ethoxymethyl)-2,4-dimethylpentane-1,5-diol
Names & synonyms
2-(Ethoxymethyl)-2,4-dimethyl-1,5-pentanediol5344-33-2NSC11042-(ethoxymethyl)-2,4-dimethylpentane-1,5-diolNSC 1104DTXSID30968109NSC-11042-(ETHOXYMETHYL)-2,5-PENTANEDIOL2-(ethoxymethyl)-2,4-dimethyl-pentane-1,5-diol
Database identifiers
- CAS
5344-33-2- PubChem CID
- 219612
- DTXSID
DTXSID30968109
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 127
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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