1,1,4,4-tetramethyl-6-[2-(4-prop-2-enylphenyl)prop-1-enyl]-2,3-dihydronaphthalene

C26H32 — CID 54446394

IUPAC1,1,4,4-tetramethyl-6-[2-(4-prop-2-enylphenyl)prop-1-enyl]-2,3-dihydronaphthalene
SMILESC=CCc1ccc(C(C)=Cc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C26H32/c1-7-8-20-9-12-22(13-10-20)19(2)17-21-11-14-23-24(18-21)26(5,6)16-15-25(23,3)4/h7,9-14,17-18H,1,8,15-16H2,2-6H3
InChIKeyWRVBFYBATSVRKM-UHFFFAOYSA-N
MW344.54 g/mol
LogP7.32
Rot. Bonds4

About 1,1,4,4-tetramethyl-6-[2-(4-prop-2-enylphenyl)prop-1-enyl]-2,3-dihydronaphthalene

1,1,4,4-tetramethyl-6-[2-(4-prop-2-enylphenyl)prop-1-enyl]-2,3-dihydronaphthalene (PubChem CID 54446394) has the molecular formula C26H32 and a molecular weight of 344.54 g/mol. Its IUPAC name is 1,1,4,4-tetramethyl-6-[2-(4-prop-2-enylphenyl)prop-1-enyl]-2,3-dihydronaphthalene.

Molecular Properties

Compound Name1,1,4,4-tetramethyl-6-[2-(4-prop-2-enylphenyl)prop-1-enyl]-2,3-dihydronaphthalene
PubChem CID54446394
Molecular FormulaC26H32
Molecular Weight344.54 g/mol
Exact Mass344.25
IUPAC Name1,1,4,4-tetramethyl-6-[2-(4-prop-2-enylphenyl)prop-1-enyl]-2,3-dihydronaphthalene
SMILESC=CCc1ccc(C(C)=Cc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C26H32/c1-7-8-20-9-12-22(13-10-20)19(2)17-21-11-14-23-24(18-21)26(5,6)16-15-25(23,3)4/h7,9-14,17-18H,1,8,15-16H2,2-6H3
InChIKeyWRVBFYBATSVRKM-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,4,4-tetramethyl-6-[2-(4-prop-2-enylphenyl)prop-1-enyl]-2,3-dihydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932
Dibenzo(a,l)pyrene
CID 9119

Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetramethyl-6-[2-(4-prop-2-enylphenyl)prop-1-enyl]-2,3-dihydronaphthalene?
The IUPAC name of 1,1,4,4-tetramethyl-6-[2-(4-prop-2-enylphenyl)prop-1-enyl]-2,3-dihydronaphthalene (CID 54446394) is 1,1,4,4-tetramethyl-6-[2-(4-prop-2-enylphenyl)prop-1-enyl]-2,3-dihydronaphthalene.
What is the SMILES notation for 1,1,4,4-tetramethyl-6-[2-(4-prop-2-enylphenyl)prop-1-enyl]-2,3-dihydronaphthalene?
The canonical SMILES for 1,1,4,4-tetramethyl-6-[2-(4-prop-2-enylphenyl)prop-1-enyl]-2,3-dihydronaphthalene is C=CCc1ccc(C(C)=Cc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1.
What is the InChIKey of 1,1,4,4-tetramethyl-6-[2-(4-prop-2-enylphenyl)prop-1-enyl]-2,3-dihydronaphthalene?
The InChIKey is WRVBFYBATSVRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32/c1-7-8-20-9-12-22(13-10-20)19(2)17-21-11-14-23-24(18-21)26(5,6)16-15-25(23,3)4/h7,9-14,17-18H,1,8,15-16H2,2-6H3.
What are the key properties of 1,1,4,4-tetramethyl-6-[2-(4-prop-2-enylphenyl)prop-1-enyl]-2,3-dihydronaphthalene?
1,1,4,4-tetramethyl-6-[2-(4-prop-2-enylphenyl)prop-1-enyl]-2,3-dihydronaphthalene has a molecular weight of 344.54 g/mol, XLogP of 7.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetramethyl-6-[2-(4-prop-2-enylphenyl)prop-1-enyl]-2,3-dihydronaphthalene is sourced from PubChem (CID 54446394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).