2,6,9,10-tetrakis(2-ethylhexoxy)anthracene

C46H74O4 — CID 139930225

IUPAC2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
SMILESCCCCC(CC)COc1ccc2c(OCC(CC)CCCC)c3cc(OCC(CC)CCCC)ccc3c(OCC(CC)CCCC)c2c1
InChIInChI=1S/C46H74O4/c1-9-17-21-35(13-5)31-47-39-25-27-41-43(29-39)45(49-33-37(15-7)23-19-11-3)42-28-26-40(48-32-36(14-6)22-18-10-2)30-44(42)46(41)50-34-38(16-8)24-20-12-4/h25-30,35-38H,9-24,31-34H2,1-8H3
InChIKeyHNMADPCABIZUHR-UHFFFAOYSA-N
MW691.09 g/mol
LogP14.37
Rot. Bonds28

About 2,6,9,10-tetrakis(2-ethylhexoxy)anthracene

2,6,9,10-tetrakis(2-ethylhexoxy)anthracene (PubChem CID 139930225) has the molecular formula C46H74O4 and a molecular weight of 691.09 g/mol. Its IUPAC name is 2,6,9,10-tetrakis(2-ethylhexoxy)anthracene.

Molecular Properties

Compound Name2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
PubChem CID139930225
Molecular FormulaC46H74O4
Molecular Weight691.09 g/mol
Exact Mass690.56
IUPAC Name2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
SMILESCCCCC(CC)COc1ccc2c(OCC(CC)CCCC)c3cc(OCC(CC)CCCC)ccc3c(OCC(CC)CCCC)c2c1
InChIInChI=1S/C46H74O4/c1-9-17-21-35(13-5)31-47-39-25-27-41-43(29-39)45(49-33-37(15-7)23-19-11-3)42-28-26-40(48-32-36(14-6)22-18-10-2)30-44(42)46(41)50-34-38(16-8)24-20-12-4/h25-30,35-38H,9-24,31-34H2,1-8H3
InChIKeyHNMADPCABIZUHR-UHFFFAOYSA-N
XLogP14.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.09
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene
CID 107171247
4-(2-ethylhexoxy)-2-propan-2-yloxyaniline
CID 83002625
2-chloro-4-(2-ethylhexoxy)benzonitrile
CID 63510721
CID 174926465
CID 174926465
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
2-(2-ethylhexoxy)-6-ethynylnaphthalene
CID 102147077
4-(2-ethylhexoxy)benzenediazonium
CID 101390113
3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole
CID 67067487
5-(2-ethylhexoxy)-2-[4-[4-(2-ethylhexoxy)-2-hydroxyphenyl]-6-[4-(2-ethylhexoxy)phenyl]-1,3,5-triazin-2-yl]phenol
CID 137127599

Frequently Asked Questions

What is the IUPAC name of 2,6,9,10-tetrakis(2-ethylhexoxy)anthracene?
The IUPAC name of 2,6,9,10-tetrakis(2-ethylhexoxy)anthracene (CID 139930225) is 2,6,9,10-tetrakis(2-ethylhexoxy)anthracene.
What is the SMILES notation for 2,6,9,10-tetrakis(2-ethylhexoxy)anthracene?
The canonical SMILES for 2,6,9,10-tetrakis(2-ethylhexoxy)anthracene is CCCCC(CC)COc1ccc2c(OCC(CC)CCCC)c3cc(OCC(CC)CCCC)ccc3c(OCC(CC)CCCC)c2c1.
What is the InChIKey of 2,6,9,10-tetrakis(2-ethylhexoxy)anthracene?
The InChIKey is HNMADPCABIZUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H74O4/c1-9-17-21-35(13-5)31-47-39-25-27-41-43(29-39)45(49-33-37(15-7)23-19-11-3)42-28-26-40(48-32-36(14-6)22-18-10-2)30-44(42)46(41)50-34-38(16-8)24-20-12-4/h25-30,35-38H,9-24,31-34H2,1-8H3.
What are the key properties of 2,6,9,10-tetrakis(2-ethylhexoxy)anthracene?
2,6,9,10-tetrakis(2-ethylhexoxy)anthracene has a molecular weight of 691.09 g/mol, XLogP of 14.37, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,9,10-tetrakis(2-ethylhexoxy)anthracene is sourced from PubChem (CID 139930225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).