CAS 6683-48-3|1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene|1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene|1,2,3,4-Tetrahydro-1,1,4,4,6-pentamethylnaphthalene|1,1,4,4,6-pentamethyl-1,2,3,4-tetra...

General Information

Structure

Molecular Formula

C₁₅H₂₂

Molecular Mass

202.33518

Exact Mass

202.1721507

Charge

InChI

InChI=1S/C15H22/c1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3/h6-7,10H,8-9H2,1-5H3

InChIKey

AISXBZVAYNUAKB-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc2c(c1)C(C)(C)CCC2(C)C

Isomeric Smiles

C1(CCC(c2cc(ccc12)C)(C)C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.113054

LogD (pH = 7.4)

5.113054

Log P

5.113054

Molar Refractivity

66.6288

Polarizability

26.018764

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

IUPAC name

1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene

Synonyms

1,2,3,4-Tetrahydro-1,1,4,4,6-pentamethylnaphthalene1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene1,1,4,4,6-Pentamethyl-1,2,3,4-tetrahydronaphthalene, tech1,2,3,4-Tetrahydro-1,1,4,4,6-pentamethyl-naphthalene

IUPAC Traditional name

1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties

Physical Property

31°C

60-64°C/0.2mm

Ether

Dichloromethane

Product Information

95%

97%

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Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

TRC

P271765

Targretin analog, has been shown to induce apoptosis in certain leukemia cell lines.

Molecule Details

References

PubChem Literature

From Data Sources

• Bonchev, D., et al.: Biophys. Chem., 51, 59 (1994)

• Endo, Y., et al.: Chem. Pharm. Bull., 45, 424 (1994)

• Winum, J., et al.: Bioorg. Med. Chem. Lett., 12, 3529 (1994)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene

Synonyms

IUPAC Traditional name

1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Molecule Details

P271765

Targretin analog, has been shown to induce apoptosis in certain leukemia cell lines.

References

PubChem Literature

From Data Sources

• Bonchev, D., et al.: Biophys. Chem., 51, 59 (1994)

• Endo, Y., et al.: Chem. Pharm. Bull., 45, 424 (1994)

• Winum, J., et al.: Bioorg. Med. Chem. Lett., 12, 3529 (1994)

Bioactivity

PubChem BioAssay

Properties

Physical Property

31°C

60-64°C/0.2mm

Ether

Dichloromethane

Product Information

95%

97%

Download link

Molecule

ID:22558