2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol

C8H18O4 — CID 14291300

IUPAC2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
SMILESCC(OCCO)C(C)OCCO
InChIInChI=1S/C8H18O4/c1-7(11-5-3-9)8(2)12-6-4-10/h7-10H,3-6H2,1-2H3
InChIKeyFKNYKCIWXYKZAQ-UHFFFAOYSA-N
MW178.23 g/mol
LogP-0.22
Rot. Bonds7

About 2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol

2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol (PubChem CID 14291300) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol.

Molecular Properties

Compound Name2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
PubChem CID14291300
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
SMILESCC(OCCO)C(C)OCCO
InChIInChI=1S/C8H18O4/c1-7(11-5-3-9)8(2)12-6-4-10/h7-10H,3-6H2,1-2H3
InChIKeyFKNYKCIWXYKZAQ-UHFFFAOYSA-N
XLogP-0.22
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminobutan-2-yloxy)ethanol
CID 142952551
2-(2-hydroxyethoxy)propane-1,1-diol
CID 159544993
2-[(2S)-3-methylpentan-2-yl]oxyethanol
CID 91428626
(2R,3R)-2,3-dipropoxybutane
CID 118445331
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044
2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol
CID 87592876
2-[2-[2-[2-(3-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]ethanol
CID 139963056
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
3-(3-methylbutan-2-yloxy)propan-1-ol
CID 58556710
2,3-diethoxybutane;ethane-1,2-diol
CID 158153184
2-(1-aminopropan-2-yloxy)ethanol;hydrochloride
CID 86645498
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol?
The IUPAC name of 2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol (CID 14291300) is 2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol.
What is the SMILES notation for 2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol?
The canonical SMILES for 2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol is CC(OCCO)C(C)OCCO.
What is the InChIKey of 2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol?
The InChIKey is FKNYKCIWXYKZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-7(11-5-3-9)8(2)12-6-4-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol?
2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol has a molecular weight of 178.23 g/mol, XLogP of -0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol is sourced from PubChem (CID 14291300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).