2-tert-butyl-6-ethyl-9,10-dimethylanthracene

C22H26 — CID 145498323

IUPAC2-tert-butyl-6-ethyl-9,10-dimethylanthracene
SMILESCCc1ccc2c(C)c3cc(C(C)(C)C)ccc3c(C)c2c1
InChIInChI=1S/C22H26/c1-7-16-8-10-18-15(3)21-13-17(22(4,5)6)9-11-19(21)14(2)20(18)12-16/h8-13H,7H2,1-6H3
InChIKeyYFHPPIYHEIXKCG-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.47
Rot. Bonds1

About 2-tert-butyl-6-ethyl-9,10-dimethylanthracene

2-tert-butyl-6-ethyl-9,10-dimethylanthracene (PubChem CID 145498323) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-tert-butyl-6-ethyl-9,10-dimethylanthracene.

Molecular Properties

Compound Name2-tert-butyl-6-ethyl-9,10-dimethylanthracene
PubChem CID145498323
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name2-tert-butyl-6-ethyl-9,10-dimethylanthracene
SMILESCCc1ccc2c(C)c3cc(C(C)(C)C)ccc3c(C)c2c1
InChIInChI=1S/C22H26/c1-7-16-8-10-18-15(3)21-13-17(22(4,5)6)9-11-19(21)14(2)20(18)12-16/h8-13H,7H2,1-6H3
InChIKeyYFHPPIYHEIXKCG-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-9,10-dimethylanthracene;methane
CID 157065860
3-tert-butyl-6,9-diethylcarbazole
CID 143233690
1-tert-butyl-4-ethylbenzene
CID 157359507
2-(8-ethyldibenzofuran-2-yl)propan-2-ol
CID 163920866
3-(4-tert-butylphenyl)-6-ethyl-2H-phthalazine-1,4-dione
CID 138585408
6-tert-butyl-1,2,3,4-tetrapropylnaphthalene
CID 101211334
2-ethyl-7-methylphenanthrene
CID 59758331
2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene
CID 139929966
N,N-bis(4-tert-butylphenyl)-4-ethylaniline
CID 59863448
ethane;2,3,6,7,10,11-hexaethyltriphenylene;2,6,10-triethyltriphenylene
CID 158781972
6-ethyl-1,4-diiodonaphthalene
CID 134461734
N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline
CID 142034446

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-ethyl-9,10-dimethylanthracene?
The IUPAC name of 2-tert-butyl-6-ethyl-9,10-dimethylanthracene (CID 145498323) is 2-tert-butyl-6-ethyl-9,10-dimethylanthracene.
What is the SMILES notation for 2-tert-butyl-6-ethyl-9,10-dimethylanthracene?
The canonical SMILES for 2-tert-butyl-6-ethyl-9,10-dimethylanthracene is CCc1ccc2c(C)c3cc(C(C)(C)C)ccc3c(C)c2c1.
What is the InChIKey of 2-tert-butyl-6-ethyl-9,10-dimethylanthracene?
The InChIKey is YFHPPIYHEIXKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-7-16-8-10-18-15(3)21-13-17(22(4,5)6)9-11-19(21)14(2)20(18)12-16/h8-13H,7H2,1-6H3.
What are the key properties of 2-tert-butyl-6-ethyl-9,10-dimethylanthracene?
2-tert-butyl-6-ethyl-9,10-dimethylanthracene has a molecular weight of 290.45 g/mol, XLogP of 6.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-ethyl-9,10-dimethylanthracene is sourced from PubChem (CID 145498323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).