bis(2-methylbuta-1,3-dienylbenzene);styrene

C30H32 — CID 173409204

IUPACbis(2-methylbuta-1,3-dienylbenzene);styrene
SMILESC=CC(C)=Cc1ccccc1.C=CC(C)=Cc1ccccc1.C=Cc1ccccc1
InChIInChI=1S/2C11H12.C8H8/c2*1-3-10(2)9-11-7-5-4-6-8-11;1-2-8-6-4-3-5-7-8/h2*3-9H,1H2,2H3;2-7H,1H2
InChIKeyXDPATINMYOLKHI-UHFFFAOYSA-N
MW392.59 g/mol
LogP8.88
Rot. Bonds5

About bis(2-methylbuta-1,3-dienylbenzene);styrene

bis(2-methylbuta-1,3-dienylbenzene);styrene (PubChem CID 173409204) has the molecular formula C30H32 and a molecular weight of 392.59 g/mol. Its IUPAC name is bis(2-methylbuta-1,3-dienylbenzene);styrene.

Molecular Properties

Compound Namebis(2-methylbuta-1,3-dienylbenzene);styrene
PubChem CID173409204
Molecular FormulaC30H32
Molecular Weight392.59 g/mol
Exact Mass392.25
IUPAC Namebis(2-methylbuta-1,3-dienylbenzene);styrene
SMILESC=CC(C)=Cc1ccccc1.C=CC(C)=Cc1ccccc1.C=Cc1ccccc1
InChIInChI=1S/2C11H12.C8H8/c2*1-3-10(2)9-11-7-5-4-6-8-11;1-2-8-6-4-3-5-7-8/h2*3-9H,1H2,2H3;2-7H,1H2
InChIKeyXDPATINMYOLKHI-UHFFFAOYSA-N
XLogP8.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylbuta-1,3-diene;styrene;hydrate
CID 87249473
bis(buta-1,3-diene);2-methylbuta-1,3-diene;styrene
CID 175235906
benzene;ethane;styrene
CID 21219610
buta-1,3-diene;2-methylprop-1-ene;styrene
CID 159487182
[(1E,3Z)-2-methylhexa-1,3,5-trienyl]benzene
CID 143291688
ethenol;styrene
CID 66670047
chloromethane;styrene
CID 122701035
hydroxylamine;styrene
CID 18314782
styrene;tetrahydrofluoride
CID 68985344
benzene;ethene;styrene
CID 159006852
CID 57450570
CID 57450570
cadmium;styrene
CID 158944156

Frequently Asked Questions

What is the IUPAC name of bis(2-methylbuta-1,3-dienylbenzene);styrene?
The IUPAC name of bis(2-methylbuta-1,3-dienylbenzene);styrene (CID 173409204) is bis(2-methylbuta-1,3-dienylbenzene);styrene.
What is the SMILES notation for bis(2-methylbuta-1,3-dienylbenzene);styrene?
The canonical SMILES for bis(2-methylbuta-1,3-dienylbenzene);styrene is C=CC(C)=Cc1ccccc1.C=CC(C)=Cc1ccccc1.C=Cc1ccccc1.
What is the InChIKey of bis(2-methylbuta-1,3-dienylbenzene);styrene?
The InChIKey is XDPATINMYOLKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12.C8H8/c2*1-3-10(2)9-11-7-5-4-6-8-11;1-2-8-6-4-3-5-7-8/h2*3-9H,1H2,2H3;2-7H,1H2.
What are the key properties of bis(2-methylbuta-1,3-dienylbenzene);styrene?
bis(2-methylbuta-1,3-dienylbenzene);styrene has a molecular weight of 392.59 g/mol, XLogP of 8.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbuta-1,3-dienylbenzene);styrene is sourced from PubChem (CID 173409204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).