1,4-bis[(2S)-2-ethylhexoxy]benzene

C22H38O2 — CID 67003802

IUPAC1,4-bis[(2S)-2-ethylhexoxy]benzene
SMILESCCCC[C@H](CC)COc1ccc(OC[C@@H](CC)CCCC)cc1
InChIInChI=1S/C22H38O2/c1-5-9-11-19(7-3)17-23-21-13-15-22(16-14-21)24-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3/t19-,20-/m0/s1
InChIKeyUBFDQSZWUFWEKI-PMACEKPBSA-N
MW334.54 g/mol
LogP6.88
Rot. Bonds14

About 1,4-bis[(2S)-2-ethylhexoxy]benzene

1,4-bis[(2S)-2-ethylhexoxy]benzene (PubChem CID 67003802) has the molecular formula C22H38O2 and a molecular weight of 334.54 g/mol. Its IUPAC name is 1,4-bis[(2S)-2-ethylhexoxy]benzene.

Molecular Properties

Compound Name1,4-bis[(2S)-2-ethylhexoxy]benzene
PubChem CID67003802
Molecular FormulaC22H38O2
Molecular Weight334.54 g/mol
Exact Mass334.29
IUPAC Name1,4-bis[(2S)-2-ethylhexoxy]benzene
SMILESCCCC[C@H](CC)COc1ccc(OC[C@@H](CC)CCCC)cc1
InChIInChI=1S/C22H38O2/c1-5-9-11-19(7-3)17-23-21-13-15-22(16-14-21)24-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3/t19-,20-/m0/s1
InChIKeyUBFDQSZWUFWEKI-PMACEKPBSA-N
XLogP6.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
4-(2-ethylhexoxy)benzenediazonium
CID 101390113
ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene
CID 170619939
N-(4-bromophenyl)-4-[(2R)-2-ethylhexoxy]-N-[4-[(2R)-2-ethylhexoxy]phenyl]aniline
CID 98047352
2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
CID 139930225
[4-(2-ethylheptoxy)phenyl]methanol
CID 142083933
1-(2-ethylhexoxy)-4-(2-methoxyethenyl)benzene
CID 91115860
1-(2-ethylhexoxy)-4-[4-[4-[4-(2-ethylhexoxy)phenyl]butylperoxy]butyl]benzene
CID 175496106
1-[(2E,4E)-3,4-dimethyl-5-phenylhexa-2,4-dien-2-yl]-4-(2-ethylhexoxy)benzene
CID 59296842
1-[(2R)-2-butyloctoxy]-4-[4-[4-[4-[(2S)-2-butyloctoxy]phenyl]phenyl]phenyl]benzene
CID 97290699
4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene
CID 107171247

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(2S)-2-ethylhexoxy]benzene?
The IUPAC name of 1,4-bis[(2S)-2-ethylhexoxy]benzene (CID 67003802) is 1,4-bis[(2S)-2-ethylhexoxy]benzene.
What is the SMILES notation for 1,4-bis[(2S)-2-ethylhexoxy]benzene?
The canonical SMILES for 1,4-bis[(2S)-2-ethylhexoxy]benzene is CCCC[C@H](CC)COc1ccc(OC[C@@H](CC)CCCC)cc1.
What is the InChIKey of 1,4-bis[(2S)-2-ethylhexoxy]benzene?
The InChIKey is UBFDQSZWUFWEKI-PMACEKPBSA-N. The full InChI is InChI=1S/C22H38O2/c1-5-9-11-19(7-3)17-23-21-13-15-22(16-14-21)24-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3/t19-,20-/m0/s1.
What are the key properties of 1,4-bis[(2S)-2-ethylhexoxy]benzene?
1,4-bis[(2S)-2-ethylhexoxy]benzene has a molecular weight of 334.54 g/mol, XLogP of 6.88, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(2S)-2-ethylhexoxy]benzene is sourced from PubChem (CID 67003802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).