2-(2,3-dimethylbutan-2-yl)anthracene

C20H22 — CID 173439325

IUPAC2-(2,3-dimethylbutan-2-yl)anthracene
SMILESCC(C)C(C)(C)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C20H22/c1-14(2)20(3,4)19-10-9-17-11-15-7-5-6-8-16(15)12-18(17)13-19/h5-14H,1-4H3
InChIKeyAISOIKFIOPZXIY-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.93
Rot. Bonds2

About 2-(2,3-dimethylbutan-2-yl)anthracene

2-(2,3-dimethylbutan-2-yl)anthracene (PubChem CID 173439325) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(2,3-dimethylbutan-2-yl)anthracene.

Molecular Properties

Compound Name2-(2,3-dimethylbutan-2-yl)anthracene
PubChem CID173439325
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name2-(2,3-dimethylbutan-2-yl)anthracene
SMILESCC(C)C(C)(C)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C20H22/c1-14(2)20(3,4)19-10-9-17-11-15-7-5-6-8-16(15)12-18(17)13-19/h5-14H,1-4H3
InChIKeyAISOIKFIOPZXIY-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.93
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

7-(2,3-dimethylbutan-2-yl)naphthalen-2-ol
CID 130432101
(2S)-3-methyl-2-naphthalen-2-ylbutan-2-ol
CID 94601218
2,6-ditert-butylanthracene
CID 15740416
anthracene;2-methylpropane
CID 142471530
4-methyl-2-naphthalen-2-ylpentane-2,3-diol
CID 102080428
(2R)-2-amino-2-anthracen-2-ylpropanoic acid
CID 100968375
ethane;pentacene
CID 91470616
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
2-(trinaphthalen-2-ylmethyl)naphthalene
CID 101401266
2-propan-2-ylpentacene
CID 153380535
2-[2-[4-[2-[4-(2-anthracen-2-ylethenyl)phenyl]propan-2-yl]phenyl]ethenyl]anthracene
CID 72543257
1-(2,3-dimethylbutan-2-yl)-4-(2-phenylpropan-2-yloxy)benzene
CID 143658209

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutan-2-yl)anthracene?
The IUPAC name of 2-(2,3-dimethylbutan-2-yl)anthracene (CID 173439325) is 2-(2,3-dimethylbutan-2-yl)anthracene.
What is the SMILES notation for 2-(2,3-dimethylbutan-2-yl)anthracene?
The canonical SMILES for 2-(2,3-dimethylbutan-2-yl)anthracene is CC(C)C(C)(C)c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of 2-(2,3-dimethylbutan-2-yl)anthracene?
The InChIKey is AISOIKFIOPZXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-14(2)20(3,4)19-10-9-17-11-15-7-5-6-8-16(15)12-18(17)13-19/h5-14H,1-4H3.
What are the key properties of 2-(2,3-dimethylbutan-2-yl)anthracene?
2-(2,3-dimethylbutan-2-yl)anthracene has a molecular weight of 262.40 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutan-2-yl)anthracene is sourced from PubChem (CID 173439325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).