5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene

C16H16 — CID 143688466

IUPAC5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene
SMILESC=CC1C=CC(c2cccc(C)c2)=CC1=C
InChIInChI=1S/C16H16/c1-4-14-8-9-16(11-13(14)3)15-7-5-6-12(2)10-15/h4-11,14H,1,3H2,2H3
InChIKeyXUOGDCVEKXDDJF-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.31
Rot. Bonds2

About 5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene

5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene (PubChem CID 143688466) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene
PubChem CID143688466
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene
SMILESC=CC1C=CC(c2cccc(C)c2)=CC1=C
InChIInChI=1S/C16H16/c1-4-14-8-9-16(11-13(14)3)15-7-5-6-12(2)10-15/h4-11,14H,1,3H2,2H3
InChIKeyXUOGDCVEKXDDJF-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene 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

1-methyl-3-(3-phenylphenyl)benzene;prop-1-ene
CID 142561273
1-[(3S)-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl]-3-methylbenzene
CID 143848245
ethene;1-methyl-3-phenylbenzene
CID 142622149
(Z)-but-2-ene;1-methyl-3-(4-phenylphenyl)benzene;prop-1-ene
CID 145212075
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
penta-1,4-diene;1,3-xylene
CID 173131413
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
ethane;1-methyl-3-phenylbenzene
CID 142040878
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene?
The IUPAC name of 5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene (CID 143688466) is 5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene is C=CC1C=CC(c2cccc(C)c2)=CC1=C.
What is the InChIKey of 5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene?
The InChIKey is XUOGDCVEKXDDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-4-14-8-9-16(11-13(14)3)15-7-5-6-12(2)10-15/h4-11,14H,1,3H2,2H3.
What are the key properties of 5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene?
5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene has a molecular weight of 208.30 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-methylidene-2-(3-methylphenyl)cyclohexa-1,3-diene is sourced from PubChem (CID 143688466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).