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'}

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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).