2-((1-Ethylpentyl)oxy)ethanol
Basic information
- CAS
10138-47-3- Standard SMILES
CCCCC(CC)OCCO- InChIKey
BITOXCKNAKLGLN-UHFFFAOYSA-N- Molecular formula
- C9H20O2
- Average molar mass
- 160.25 g/mol
- Monoisotopic mass
- 160.14632988
Names & identifiers
- Preferred name
- 2-((1-Ethylpentyl)oxy)ethanol
- IUPAC
- 2-heptan-3-yloxyethanol
- English name
- 2-[(1-Ethylpentyl)oxy]ethanol
- Molecular formula
- C9H20O2
- Molecular weight
- 160.25
Names & synonyms
2-(1-Ethylamyloxy)ethanol2-(3-Heptyloxy)ethanol2-[(1-Ethylpentyl)oxy]ethanol10138-47-3BRN 1847948Ethanol, 2-((1-ethylpentyl)oxy)-2-((1-ETHYLPENTYL)OXY)ETHANOLRefChem:2491182-heptan-3-yloxyethanolSCHEMBL37441SCHEMBL28588049DTXSID30906102
Show more names
Ethanol, 2-[(1-ethylpentyl)oxy]-
2-[(Heptan-3-yl)oxy]ethan-1-ol
Database identifiers
- CAS
10138-47-3- PubChem CID
- 24989
- DTXSID
DTXSID30906102- Nikkaji
- J34.786H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 74
Physicochemical properties
- Boiling point
- 221.18 °C · 221.18°C (rough estimate)
- Density
- 0.8721 · 0.8721 (estimate)
- refractive index
- 1.4267 · 1.4267 (estimate)
- pka
- 14.39 · 14.39±0.10(Predicted)
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Related reactions
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Compound notes
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