2-[3-(2-ethylhexoxy)-2-(1-prop-2-enoxybutan-2-yloxy)propoxy]ethanol

C20H40O5 — CID 59734661

IUPAC2-[3-(2-ethylhexoxy)-2-(1-prop-2-enoxybutan-2-yloxy)propoxy]ethanol
SMILESC=CCOCC(CC)OC(COCCO)COCC(CC)CCCC
InChIInChI=1S/C20H40O5/c1-5-9-10-18(7-3)14-24-17-20(16-23-13-11-21)25-19(8-4)15-22-12-6-2/h6,18-21H,2,5,7-17H2,1,3-4H3
InChIKeyWHRWSOLYBWACSV-UHFFFAOYSA-N
MW360.54 g/mol
LogP3.59
Rot. Bonds19

About 2-[3-(2-ethylhexoxy)-2-(1-prop-2-enoxybutan-2-yloxy)propoxy]ethanol

2-[3-(2-ethylhexoxy)-2-(1-prop-2-enoxybutan-2-yloxy)propoxy]ethanol (PubChem CID 59734661) has the molecular formula C20H40O5 and a molecular weight of 360.54 g/mol. Its IUPAC name is 2-[3-(2-ethylhexoxy)-2-(1-prop-2-enoxybutan-2-yloxy)propoxy]ethanol.

Molecular Properties

Compound Name2-[3-(2-ethylhexoxy)-2-(1-prop-2-enoxybutan-2-yloxy)propoxy]ethanol
PubChem CID59734661
Molecular FormulaC20H40O5
Molecular Weight360.54 g/mol
Exact Mass360.29
IUPAC Name2-[3-(2-ethylhexoxy)-2-(1-prop-2-enoxybutan-2-yloxy)propoxy]ethanol
SMILESC=CCOCC(CC)OC(COCCO)COCC(CC)CCCC
InChIInChI=1S/C20H40O5/c1-5-9-10-18(7-3)14-24-17-20(16-23-13-11-21)25-19(8-4)15-22-12-6-2/h6,18-21H,2,5,7-17H2,1,3-4H3
InChIKeyWHRWSOLYBWACSV-UHFFFAOYSA-N
XLogP3.59
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(prop-2-enoxymethyl)heptane
CID 3530837
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid
CID 87749603
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
1-methoxy-2-(1-methoxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropane
CID 22498090
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
2-[2-[2-[2-[2-[2-(2-ethylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 177306208
3-(4-ethenoxybutoxymethyl)heptane
CID 139971607
2-ethylhexoxymethanol
CID 18783221
3-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]heptane
CID 118370472
(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
CID 73416378
2-(2-propylnonoxy)ethanol
CID 168837428

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethylhexoxy)-2-(1-prop-2-enoxybutan-2-yloxy)propoxy]ethanol?
The IUPAC name of 2-[3-(2-ethylhexoxy)-2-(1-prop-2-enoxybutan-2-yloxy)propoxy]ethanol (CID 59734661) is 2-[3-(2-ethylhexoxy)-2-(1-prop-2-enoxybutan-2-yloxy)propoxy]ethanol.
What is the SMILES notation for 2-[3-(2-ethylhexoxy)-2-(1-prop-2-enoxybutan-2-yloxy)propoxy]ethanol?
The canonical SMILES for 2-[3-(2-ethylhexoxy)-2-(1-prop-2-enoxybutan-2-yloxy)propoxy]ethanol is C=CCOCC(CC)OC(COCCO)COCC(CC)CCCC.
What is the InChIKey of 2-[3-(2-ethylhexoxy)-2-(1-prop-2-enoxybutan-2-yloxy)propoxy]ethanol?
The InChIKey is WHRWSOLYBWACSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O5/c1-5-9-10-18(7-3)14-24-17-20(16-23-13-11-21)25-19(8-4)15-22-12-6-2/h6,18-21H,2,5,7-17H2,1,3-4H3.
What are the key properties of 2-[3-(2-ethylhexoxy)-2-(1-prop-2-enoxybutan-2-yloxy)propoxy]ethanol?
2-[3-(2-ethylhexoxy)-2-(1-prop-2-enoxybutan-2-yloxy)propoxy]ethanol has a molecular weight of 360.54 g/mol, XLogP of 3.59, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethylhexoxy)-2-(1-prop-2-enoxybutan-2-yloxy)propoxy]ethanol is sourced from PubChem (CID 59734661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).