5-benzylidene-1,6-bis(ethenyl)cyclohexa-1,3-diene

C17H16 — CID 174289399

IUPAC5-benzylidene-1,6-bis(ethenyl)cyclohexa-1,3-diene
SMILESC=CC1=CC=CC(=Cc2ccccc2)C1C=C
InChIInChI=1S/C17H16/c1-3-15-11-8-12-16(17(15)4-2)13-14-9-6-5-7-10-14/h3-13,17H,1-2H2
InChIKeyFALIFPJMESEVSM-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.55
Rot. Bonds3

About 5-benzylidene-1,6-bis(ethenyl)cyclohexa-1,3-diene

5-benzylidene-1,6-bis(ethenyl)cyclohexa-1,3-diene (PubChem CID 174289399) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5-benzylidene-1,6-bis(ethenyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-benzylidene-1,6-bis(ethenyl)cyclohexa-1,3-diene
PubChem CID174289399
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name5-benzylidene-1,6-bis(ethenyl)cyclohexa-1,3-diene
SMILESC=CC1=CC=CC(=Cc2ccccc2)C1C=C
InChIInChI=1S/C17H16/c1-3-15-11-8-12-16(17(15)4-2)13-14-9-6-5-7-10-14/h3-13,17H,1-2H2
InChIKeyFALIFPJMESEVSM-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane
CID 102163654
6-benzylidene-N,N-dichlorocyclohexa-2,4-dien-1-amine
CID 140966794
benzene;ethene;styrene
CID 159006852
CID 57450570
CID 57450570
cadmium;styrene
CID 158944156
styrene;tetrahydrofluoride
CID 68985344
dipotassium;hydride;styrene
CID 173457449
benzene;ethane;styrene
CID 21219610
magnesium;styrene;dibromide
CID 170339005
1-(6-benzylidenecyclohexa-2,4-dien-1-yl)-3-phenylprop-2-en-1-one;palladium
CID 175249285
2,4-dibenzylidene-1,3-dithietane
CID 101088005
chloromethane;styrene
CID 122701035

Frequently Asked Questions

What is the IUPAC name of 5-benzylidene-1,6-bis(ethenyl)cyclohexa-1,3-diene?
The IUPAC name of 5-benzylidene-1,6-bis(ethenyl)cyclohexa-1,3-diene (CID 174289399) is 5-benzylidene-1,6-bis(ethenyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-benzylidene-1,6-bis(ethenyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-benzylidene-1,6-bis(ethenyl)cyclohexa-1,3-diene is C=CC1=CC=CC(=Cc2ccccc2)C1C=C.
What is the InChIKey of 5-benzylidene-1,6-bis(ethenyl)cyclohexa-1,3-diene?
The InChIKey is FALIFPJMESEVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-3-15-11-8-12-16(17(15)4-2)13-14-9-6-5-7-10-14/h3-13,17H,1-2H2.
What are the key properties of 5-benzylidene-1,6-bis(ethenyl)cyclohexa-1,3-diene?
5-benzylidene-1,6-bis(ethenyl)cyclohexa-1,3-diene has a molecular weight of 220.31 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylidene-1,6-bis(ethenyl)cyclohexa-1,3-diene is sourced from PubChem (CID 174289399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).