[3-(2-ethylhexoxy)-2-[2-(2-methoxypropoxy)ethoxy]propoxy]benzene

C23H40O5 — CID 162495095

IUPAC[3-(2-ethylhexoxy)-2-[2-(2-methoxypropoxy)ethoxy]propoxy]benzene
SMILESCCCCC(CC)COCC(COc1ccccc1)OCCOCC(C)OC
InChIInChI=1S/C23H40O5/c1-5-7-11-21(6-2)17-26-18-23(19-28-22-12-9-8-10-13-22)27-15-14-25-16-20(3)24-4/h8-10,12-13,20-21,23H,5-7,11,14-19H2,1-4H3
InChIKeyYMXAPPMHXRTBSE-UHFFFAOYSA-N
MW396.57 g/mol
LogP4.74
Rot. Bonds18

About [3-(2-ethylhexoxy)-2-[2-(2-methoxypropoxy)ethoxy]propoxy]benzene

[3-(2-ethylhexoxy)-2-[2-(2-methoxypropoxy)ethoxy]propoxy]benzene (PubChem CID 162495095) has the molecular formula C23H40O5 and a molecular weight of 396.57 g/mol. Its IUPAC name is [3-(2-ethylhexoxy)-2-[2-(2-methoxypropoxy)ethoxy]propoxy]benzene.

Molecular Properties

Compound Name[3-(2-ethylhexoxy)-2-[2-(2-methoxypropoxy)ethoxy]propoxy]benzene
PubChem CID162495095
Molecular FormulaC23H40O5
Molecular Weight396.57 g/mol
Exact Mass396.29
IUPAC Name[3-(2-ethylhexoxy)-2-[2-(2-methoxypropoxy)ethoxy]propoxy]benzene
SMILESCCCCC(CC)COCC(COc1ccccc1)OCCOCC(C)OC
InChIInChI=1S/C23H40O5/c1-5-7-11-21(6-2)17-26-18-23(19-28-22-12-9-8-10-13-22)27-15-14-25-16-20(3)24-4/h8-10,12-13,20-21,23H,5-7,11,14-19H2,1-4H3
InChIKeyYMXAPPMHXRTBSE-UHFFFAOYSA-N
XLogP4.74
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.57
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-ethylhexoxy)-2-(2-methoxyethoxy)propoxy]-N-[3-(2-ethylhexoxy)-2-(2-methoxyethoxy)propyl]aniline
CID 153498857
[3-(2-ethylhexoxy)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropoxy]benzene
CID 146650602
2-ethylhexoxybenzene;methoxyboronic acid
CID 23293414
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
4-[2-(2-ethylhexoxy)ethoxy]aniline
CID 43366167
4-ethyl-1-phenoxyoctan-2-amine
CID 63416527
5-(1-hexadecoxy-3-phenoxypropan-2-yl)oxypentanoic acid
CID 90243035
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
2-[3-[1-(2-ethylhexoxy)-3-phenoxypropan-2-yl]oxy-3-methylbutoxy]-5-[(2-methylpropan-2-yl)oxy]hex-1-en-3-imine
CID 166881129
1-[(2E,4E)-3,4-dimethyl-5-phenylhexa-2,4-dien-2-yl]-4-(2-ethylhexoxy)benzene
CID 59296842
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
3-[2-(2-methylhexoxy)ethoxymethyl]octane
CID 171470353

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylhexoxy)-2-[2-(2-methoxypropoxy)ethoxy]propoxy]benzene?
The IUPAC name of [3-(2-ethylhexoxy)-2-[2-(2-methoxypropoxy)ethoxy]propoxy]benzene (CID 162495095) is [3-(2-ethylhexoxy)-2-[2-(2-methoxypropoxy)ethoxy]propoxy]benzene.
What is the SMILES notation for [3-(2-ethylhexoxy)-2-[2-(2-methoxypropoxy)ethoxy]propoxy]benzene?
The canonical SMILES for [3-(2-ethylhexoxy)-2-[2-(2-methoxypropoxy)ethoxy]propoxy]benzene is CCCCC(CC)COCC(COc1ccccc1)OCCOCC(C)OC.
What is the InChIKey of [3-(2-ethylhexoxy)-2-[2-(2-methoxypropoxy)ethoxy]propoxy]benzene?
The InChIKey is YMXAPPMHXRTBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O5/c1-5-7-11-21(6-2)17-26-18-23(19-28-22-12-9-8-10-13-22)27-15-14-25-16-20(3)24-4/h8-10,12-13,20-21,23H,5-7,11,14-19H2,1-4H3.
What are the key properties of [3-(2-ethylhexoxy)-2-[2-(2-methoxypropoxy)ethoxy]propoxy]benzene?
[3-(2-ethylhexoxy)-2-[2-(2-methoxypropoxy)ethoxy]propoxy]benzene has a molecular weight of 396.57 g/mol, XLogP of 4.74, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylhexoxy)-2-[2-(2-methoxypropoxy)ethoxy]propoxy]benzene is sourced from PubChem (CID 162495095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).