styrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

C18H24 — CID 18955825

IUPACstyrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
SMILESC=Cc1ccccc1.CC1=CCC2CC1C2(C)C
InChIInChI=1S/C10H16.C8H8/c1-7-4-5-8-6-9(7)10(8,2)3;1-2-8-6-4-3-5-7-8/h4,8-9H,5-6H2,1-3H3;2-7H,1H2
InChIKeyZHLRYNFMIPMRCN-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.33
Rot. Bonds1

About styrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

styrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene (PubChem CID 18955825) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is styrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene.

Molecular Properties

Compound Namestyrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
PubChem CID18955825
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Namestyrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
SMILESC=Cc1ccccc1.CC1=CCC2CC1C2(C)C
InChIInChI=1S/C10H16.C8H8/c1-7-4-5-8-6-9(7)10(8,2)3;1-2-8-6-4-3-5-7-8/h4,8-9H,5-6H2,1-3H3;2-7H,1H2
InChIKeyZHLRYNFMIPMRCN-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze styrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene 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

2-methylidenebicyclo[3.1.1]heptane;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
CID 170851609
benzene;ethane;styrene
CID 21219610
buta-1,3-diene;fluoromethane;styrene
CID 174915183
chloromethane;styrene
CID 122701035
CID 70443008
CID 70443008
cyclopropane;styrene
CID 173239473
styrene;tetrahydrofluoride
CID 68985344
benzene;ethene;styrene
CID 159006852
CID 57450570
CID 57450570
cadmium;styrene
CID 158944156
1-ethenyl-4-methylbenzene;styrene
CID 159659441
[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylmethyl]-oxophosphanium
CID 154291096

Frequently Asked Questions

What is the IUPAC name of styrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene?
The IUPAC name of styrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene (CID 18955825) is styrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene.
What is the SMILES notation for styrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene?
The canonical SMILES for styrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene is C=Cc1ccccc1.CC1=CCC2CC1C2(C)C.
What is the InChIKey of styrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene?
The InChIKey is ZHLRYNFMIPMRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C8H8/c1-7-4-5-8-6-9(7)10(8,2)3;1-2-8-6-4-3-5-7-8/h4,8-9H,5-6H2,1-3H3;2-7H,1H2.
What are the key properties of styrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene?
styrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene has a molecular weight of 240.39 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for styrene;2,6,6-trimethylbicyclo[3.1.1]hept-2-ene is sourced from PubChem (CID 18955825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).