Basic information
- CAS
10138-87-1- Standard SMILES
CCCCC(CC)OCCOCCO- InChIKey
KBAWNJHIFOTMPH-UHFFFAOYSA-N- Molecular formula
- C11H24O3
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.17254462
Names & identifiers
- Preferred name
- Ethanol, 2-(((1-ethylpentyl)oxy)ethoxy)-
- IUPAC
- 2-(2-heptan-3-yloxyethoxy)ethanol
- English name
- 2-[2-[(1-Ethylpentyl)oxy]ethoxy]ethanol
- Molecular formula
- C11H24O3
- Molecular weight
- 204.31
Names & synonyms
10138-87-12-(2-(3-Heptyloxy)ethoxy)ethanol7-Ethyl-3,6-dioxa-1-undekanol2-(2-(1-Ethylamyloxy)ethoxy)ethanol2-(((1-Ethylpentyl)oxy)ethoxy)ethanol7-Ethyl-3,6-dioxa-1-undekanol [Czech]Ethanol, 2-(((1-ethylpentyl)oxy)ethoxy)-RefChem:3407282-[2-[(1-Ethylpentyl)oxy]ethoxy]ethanol2-(2-(Heptan-3-yloxy)ethoxy)ethan-1-ol2-(2-heptan-3-yloxyethoxy)ethanolSCHEMBL1344517
Show more names
Ethanol, 2-[2-[(1-ethylpentyl)oxy]ethoxy]-
SCHEMBL3362082SCHEMBL27811510DTXSID709061062-{2-[(Heptan-3-yl)oxy]ethoxy}ethan-1-ol
Database identifiers
- CAS
10138-87-1- PubChem CID
- 112006
- DTXSID
DTXSID70906106- Nikkaji
- J49.834C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Boiling point
- 277.81 °C · 277.81°C (rough estimate)
- Density
- 0.9109 · 0.9109 (estimate)
- refractive index
- 1.4267 · 1.4267 (estimate)
- pka
- 14.36 · 14.36±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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