1-ethoxy-2-(2-ethylhexoxy)ethanol

C12H26O3 — CID 175194303

IUPAC1-ethoxy-2-(2-ethylhexoxy)ethanol
SMILESCCCCC(CC)COCC(O)OCC
InChIInChI=1S/C12H26O3/c1-4-7-8-11(5-2)9-14-10-12(13)15-6-3/h11-13H,4-10H2,1-3H3
InChIKeyDZINFOHPFOSKFB-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.57
Rot. Bonds10

About 1-ethoxy-2-(2-ethylhexoxy)ethanol

1-ethoxy-2-(2-ethylhexoxy)ethanol (PubChem CID 175194303) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-ethoxy-2-(2-ethylhexoxy)ethanol.

Molecular Properties

Compound Name1-ethoxy-2-(2-ethylhexoxy)ethanol
PubChem CID175194303
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name1-ethoxy-2-(2-ethylhexoxy)ethanol
SMILESCCCCC(CC)COCC(O)OCC
InChIInChI=1S/C12H26O3/c1-4-7-8-11(5-2)9-14-10-12(13)15-6-3/h11-13H,4-10H2,1-3H3
InChIKeyDZINFOHPFOSKFB-UHFFFAOYSA-N
XLogP2.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
CID 88753128
CID 88753128
(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
CID 73416378
ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol
CID 87069112
3-(2-ethylhexoxymethyl)heptane;sulfuric acid
CID 158892340
(2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol
CID 29000840
2-ethylhexoxymethanol
CID 18783221
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin
CID 87392614
3-(1-ethoxyethoxymethyl)heptane
CID 173293823
ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol
CID 170602401

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(2-ethylhexoxy)ethanol?
The IUPAC name of 1-ethoxy-2-(2-ethylhexoxy)ethanol (CID 175194303) is 1-ethoxy-2-(2-ethylhexoxy)ethanol.
What is the SMILES notation for 1-ethoxy-2-(2-ethylhexoxy)ethanol?
The canonical SMILES for 1-ethoxy-2-(2-ethylhexoxy)ethanol is CCCCC(CC)COCC(O)OCC.
What is the InChIKey of 1-ethoxy-2-(2-ethylhexoxy)ethanol?
The InChIKey is DZINFOHPFOSKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-4-7-8-11(5-2)9-14-10-12(13)15-6-3/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-ethoxy-2-(2-ethylhexoxy)ethanol?
1-ethoxy-2-(2-ethylhexoxy)ethanol has a molecular weight of 218.34 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(2-ethylhexoxy)ethanol is sourced from PubChem (CID 175194303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).