1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene

C28H44 — CID 123773607

IUPAC1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene
SMILESCCCCC(CC)Cc1cc(C)cc2c(CC(CC)CCCC)cc(C)cc12
InChIInChI=1S/C28H44/c1-7-11-13-23(9-3)19-25-15-21(5)18-28-26(16-22(6)17-27(25)28)20-24(10-4)14-12-8-2/h15-18,23-24H,7-14,19-20H2,1-6H3
InChIKeyKCRAQKNLTMUACM-UHFFFAOYSA-N
MW380.66 g/mol
LogP8.97
Rot. Bonds12

About 1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene

1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene (PubChem CID 123773607) has the molecular formula C28H44 and a molecular weight of 380.66 g/mol. Its IUPAC name is 1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene.

Molecular Properties

Compound Name1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene
PubChem CID123773607
Molecular FormulaC28H44
Molecular Weight380.66 g/mol
Exact Mass380.34
IUPAC Name1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene
SMILESCCCCC(CC)Cc1cc(C)cc2c(CC(CC)CCCC)cc(C)cc12
InChIInChI=1S/C28H44/c1-7-11-13-23(9-3)19-25-15-21(5)18-28-26(16-22(6)17-27(25)28)20-24(10-4)14-12-8-2/h15-18,23-24H,7-14,19-20H2,1-6H3
InChIKeyKCRAQKNLTMUACM-UHFFFAOYSA-N
XLogP8.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.66
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-[4,8-bis(2-ethylhexyl)-6-methylnaphthalen-2-yl]-12-methylchrysene
CID 123741523
6-tert-butyl-4,8-bis(2-ethylhexyl)-N,N-bis(4-methylphenyl)naphthalen-2-amine
CID 130398300
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
2-(2-ethylhexyl)-8-methoxy-4,6-dimethylquinoline
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1,4-bis[(2R)-2-ethylhexyl]-2,5-bis(prop-1-ynyl)benzene
CID 94865694
2-(2-ethylhexyl)benzene-1,4-diamine
CID 151075320
3-[4,8-bis(2-ethylhexyl)-7-methylnaphthalen-2-yl]-1,5-bis(3,5-ditert-butylphenyl)-7-methylnaphthalene
CID 123153198
1-(2-ethylhexyl)-2,4-difluorobenzene;titanium
CID 174433926
4-(2-ethylhexyl)benzene-1,2,3-triol
CID 58275156
1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol
CID 114981430
9-(2-ethylhexyl)-2-methyl-10-(4-methylphenyl)phenanthrene
CID 143125709
2-(2-ethylhexyl)-4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 68964957

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene?
The IUPAC name of 1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene (CID 123773607) is 1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene.
What is the SMILES notation for 1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene?
The canonical SMILES for 1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene is CCCCC(CC)Cc1cc(C)cc2c(CC(CC)CCCC)cc(C)cc12.
What is the InChIKey of 1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene?
The InChIKey is KCRAQKNLTMUACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44/c1-7-11-13-23(9-3)19-25-15-21(5)18-28-26(16-22(6)17-27(25)28)20-24(10-4)14-12-8-2/h15-18,23-24H,7-14,19-20H2,1-6H3.
What are the key properties of 1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene?
1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene has a molecular weight of 380.66 g/mol, XLogP of 8.97, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2-ethylhexyl)-3,7-dimethylnaphthalene is sourced from PubChem (CID 123773607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).