ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol

C15H34O4 — CID 87069112

IUPACethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol
SMILESCCCCC(CC)COCC(O)CO.CCOCC
InChIInChI=1S/C11H24O3.C4H10O/c1-3-5-6-10(4-2)8-14-9-11(13)7-12;1-3-5-4-2/h10-13H,3-9H2,1-2H3;3-4H2,1-2H3
InChIKeyXRKQMJZXNHPADX-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.62
Rot. Bonds11

About ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol

ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol (PubChem CID 87069112) has the molecular formula C15H34O4 and a molecular weight of 278.43 g/mol. Its IUPAC name is ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol.

Molecular Properties

Compound Nameethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol
PubChem CID87069112
Molecular FormulaC15H34O4
Molecular Weight278.43 g/mol
Exact Mass278.25
IUPAC Nameethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol
SMILESCCCCC(CC)COCC(O)CO.CCOCC
InChIInChI=1S/C11H24O3.C4H10O/c1-3-5-6-10(4-2)8-14-9-11(13)7-12;1-3-5-4-2/h10-13H,3-9H2,1-2H3;3-4H2,1-2H3
InChIKeyXRKQMJZXNHPADX-UHFFFAOYSA-N
XLogP2.62
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
CID 73416378
3-(2-ethyloctoxy)propane-1,2-diol
CID 23105906
3-(2-ethylhexoxy)propane-1,2-diol;5-ethylnonane-1,2,3-triol
CID 158933323
CID 88753128
CID 88753128
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
(2S)-1-amino-3-[(2S)-2-ethylhexoxy]propan-2-ol
CID 29000840
ethoxyethane;2-(2-ethylhexoxy)propane-1,3-diol
CID 87579118
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
2-ethylhexoxymethanol
CID 18783221
1-ethoxy-2-(2-ethylhexoxy)ethanol
CID 175194303
ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol
CID 170602401
1-(2-propylhexoxy)butan-2-ol
CID 58918426

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol?
The IUPAC name of ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol (CID 87069112) is ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol.
What is the SMILES notation for ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol?
The canonical SMILES for ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol is CCCCC(CC)COCC(O)CO.CCOCC.
What is the InChIKey of ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol?
The InChIKey is XRKQMJZXNHPADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3.C4H10O/c1-3-5-6-10(4-2)8-14-9-11(13)7-12;1-3-5-4-2/h10-13H,3-9H2,1-2H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol?
ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol has a molecular weight of 278.43 g/mol, XLogP of 2.62, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;3-(2-ethylhexoxy)propane-1,2-diol is sourced from PubChem (CID 87069112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).