[3-(2-ethylhexoxy)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropoxy]benzene

C25H44O4 — CID 146650602

IUPAC[3-(2-ethylhexoxy)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropoxy]benzene
SMILESCCCCC(CC)COCC(COc1ccccc1)OC(C)(C)COC(C)(C)C
InChIInChI=1S/C25H44O4/c1-8-10-14-21(9-2)17-26-18-23(19-27-22-15-12-11-13-16-22)29-25(6,7)20-28-24(3,4)5/h11-13,15-16,21,23H,8-10,14,17-20H2,1-7H3
InChIKeyYYICDPPATGYDNZ-UHFFFAOYSA-N
MW408.62 g/mol
LogP6.28
Rot. Bonds15

About [3-(2-ethylhexoxy)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropoxy]benzene

[3-(2-ethylhexoxy)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropoxy]benzene (PubChem CID 146650602) has the molecular formula C25H44O4 and a molecular weight of 408.62 g/mol. Its IUPAC name is [3-(2-ethylhexoxy)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropoxy]benzene.

Molecular Properties

Compound Name[3-(2-ethylhexoxy)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropoxy]benzene
PubChem CID146650602
Molecular FormulaC25H44O4
Molecular Weight408.62 g/mol
Exact Mass408.32
IUPAC Name[3-(2-ethylhexoxy)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropoxy]benzene
SMILESCCCCC(CC)COCC(COc1ccccc1)OC(C)(C)COC(C)(C)C
InChIInChI=1S/C25H44O4/c1-8-10-14-21(9-2)17-26-18-23(19-27-22-15-12-11-13-16-22)29-25(6,7)20-28-24(3,4)5/h11-13,15-16,21,23H,8-10,14,17-20H2,1-7H3
InChIKeyYYICDPPATGYDNZ-UHFFFAOYSA-N
XLogP6.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.62
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
[3-(2-ethylhexoxy)-2-[2-(2-methoxypropoxy)ethoxy]propoxy]benzene
CID 162495095
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
2-ethylhexoxybenzene;methoxyboronic acid
CID 23293414
4-ethyl-1-phenoxyoctan-2-amine
CID 63416527
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
4-[3-(2-ethylhexoxy)-2-(2-methoxyethoxy)propoxy]-N-[3-(2-ethylhexoxy)-2-(2-methoxyethoxy)propyl]aniline
CID 153498857
1-[(2E,4E)-3,4-dimethyl-5-phenylhexa-2,4-dien-2-yl]-4-(2-ethylhexoxy)benzene
CID 59296842
3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane
CID 171580547
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
2-ethylhexoxy(phenoxy)phosphane
CID 23385803

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylhexoxy)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropoxy]benzene?
The IUPAC name of [3-(2-ethylhexoxy)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropoxy]benzene (CID 146650602) is [3-(2-ethylhexoxy)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropoxy]benzene.
What is the SMILES notation for [3-(2-ethylhexoxy)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropoxy]benzene?
The canonical SMILES for [3-(2-ethylhexoxy)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropoxy]benzene is CCCCC(CC)COCC(COc1ccccc1)OC(C)(C)COC(C)(C)C.
What is the InChIKey of [3-(2-ethylhexoxy)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropoxy]benzene?
The InChIKey is YYICDPPATGYDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O4/c1-8-10-14-21(9-2)17-26-18-23(19-27-22-15-12-11-13-16-22)29-25(6,7)20-28-24(3,4)5/h11-13,15-16,21,23H,8-10,14,17-20H2,1-7H3.
What are the key properties of [3-(2-ethylhexoxy)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropoxy]benzene?
[3-(2-ethylhexoxy)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropoxy]benzene has a molecular weight of 408.62 g/mol, XLogP of 6.28, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylhexoxy)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxypropoxy]benzene is sourced from PubChem (CID 146650602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).